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CAS 1036027-87-8 (S)-tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1036027-87-8

(S)-tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-005170
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1036027-87-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1036027-87-8 / tert-butyl 4-[(1S)-1-aminoethyl]piperidine-1-carboxylate

tert-Butyl 4-(1-aminoethyl)piperidine-1-carboxylate | DTXSID50627302 | RefChem:383451

Standard CAS: 1036027-87-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1036027-87-8
Multi CAS
Yes
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
C[C@@H](C1CCN(CC1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H24N2O2/c1-9(13)10-5-7-14(8-6-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-/m0/s1
InChIKey
FQUVAASUKJSNRV-VIFPVBQESA-N
Synonyms
tert-Butyl 4-(1-aminoethyl)piperidine-1-carboxylate DTXSID50627302 RefChem:383451 DTXCID80578055 808-259-9

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.18
TPSA
55.56

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.3
Consensus LogP
1.68
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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