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CAS 115655-42-0 1,4-Piperidinedicarboxylic acid, 4-aMino-, 4-Methyl 1-(phenylMethyl) ester molecular structure lightbox
CAS RN: 115655-42-0

1,4-Piperidinedicarboxylic acid, 4-aMino-, 4-Methyl 1-(phenylMethyl) ester

  • Product code: SSC-015425
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115655-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

115655-42-0 / 1-O-benzyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate

1-benzyl 4-methyl 4-aminopiperidine-1,4-dicarboxylate | 1,4-Piperidinedicarboxylic acid, 4-amino-, 4-methyl 1-(phenylmethyl) ester | MFCD17170960

Standard CAS: 115655-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115655-42-0
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
SMILES
COC(=O)C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C15H20N2O4/c1-20-13(18)15(16)7-9-17(10-8-15)14(19)21-11-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3
InChIKey
PLQPYSJTFRDBOT-UHFFFAOYSA-N
Synonyms
1-benzyl 4-methyl 4-aminopiperidine-1,4-dicarboxylate 1,4-Piperidinedicarboxylic acid, 4-amino-, 4-methyl 1-(phenylmethyl) ester MFCD17170960 O1-Benzyl O4-methyl 4-aminopiperidine-1,4-dicarboxylate 1-O-benzyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.37
TPSA
81.86

LogP / Solubility

WLOGP
1.29
MLOGP
1.15
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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