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CAS 1227487-29-7 1-Piperidinecarboxylic acid, 4-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S,4R)- molecular structure lightbox
CAS RN: 1227487-29-7

1-Piperidinecarboxylic acid, 4-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3S,4R)-

  • Product code: SSC-025938
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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 1227487-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1227487-29-7 / tert-butyl (3S,4R)-4-amino-3-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 1227487-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227487-29-7
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)CO)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-9(12)8(6-13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9-/m1/s1
InChIKey
JJYWLFQRQOTSKA-RKDXNWHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.98
TPSA
75.79

LogP / Solubility

WLOGP
0.56
MLOGP
0.5
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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