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CAS 173340-23-3 TERT-BUTYL N-[(1-BENZYL-4-PIPERIDINYL)METHYL]CARBAMATE molecular structure lightbox
CAS RN: 173340-23-3

TERT-BUTYL N-[(1-BENZYL-4-PIPERIDINYL)METHYL]CARBAMATE

  • Product code: SSC-076133
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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: 1g
  • 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 173340-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

173340-23-3 / tert-butyl N-[(1-benzylpiperidin-4-yl)methyl]carbamate

Standard CAS: 173340-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173340-23-3
Multi CAS
No
Molecular Formula
C18H28N2O2
Molecular Weight
304.400000
Exact Mass
304.215078
SMILES
CC(C)(C)OC(=O)NCC1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)19-13-15-9-11-20(12-10-15)14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKey
SOXSDIKJHXTJEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.68
TPSA
41.57

LogP / Solubility

WLOGP
3.42
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
No
Log Kp (skin permeation)
-2.15

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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