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CAS 1016259-54-3 Ethyl 1-Boc-3-(1-phenylethylaMino)piperidine-4-carboxylate molecular structure lightbox
CAS RN: 1016259-54-3

Ethyl 1-Boc-3-(1-phenylethylaMino)piperidine-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002462
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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: 5g, 10g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1016259-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

1016259-54-3 / 1-O-tert-butyl 4-O-ethyl 3-(1-phenylethylamino)piperidine-1,4-dicarboxylate

Ethyl 1-Boc-3-(1-phenylethylamino)piperidine-4-carboxylate | MFCD18911735 | 1-O-tert-butyl 4-O-ethyl 3-(1-phenylethylamino)piperidine-1,4-dicarboxylate

Standard CAS: 1016259-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016259-54-3
Multi CAS
No
Molecular Formula
C21H32N2O4
Molecular Weight
376.500000
Exact Mass
376.236208
SMILES
CCOC(=O)C1CCN(CC1NC(C)C2=CC=CC=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H32N2O4/c1-6-26-19(24)17-12-13-23(20(25)27-21(3,4)5)14-18(17)22-15(2)16-10-8-7-9-11-16/h7-11,15,17-18,22H,6,12-14H2,1-5H3
InChIKey
MEQUVEFMYQSDPZ-UHFFFAOYSA-N
Synonyms
Ethyl 1-Boc-3-(1-phenylethylamino)piperidine-4-carboxylate MFCD18911735 1-O-tert-butyl 4-O-ethyl 3-(1-phenylethylamino)piperidine-1,4-dicarboxylate 1,4-Piperidinedicarboxylic acid, 3-[(1-phenylethyl)amino]-, 1-(1,1-dimethylethyl) 4-ethyl ester 1-(tert-butyl) 4-ethyl 3-((1-phenylethyl)amino)piperidine-1,4-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.33
TPSA
67.87

LogP / Solubility

WLOGP
3.53
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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