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CAS 1206875-41-3 Methyl (1-benzyl-4-Methylpiperidin-3-yl)carbaMate molecular structure lightbox
CAS RN: 1206875-41-3

Methyl (1-benzyl-4-Methylpiperidin-3-yl)carbaMate

  • Product code: SSC-021769
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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 1206875-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1206875-41-3 / methyl N-(1-benzyl-4-methylpiperidin-3-yl)carbamate

Methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate | Methyl 1-benzyl-4-methylpiperidin-3-yl-carbamate | methyl N-(1-benzyl-4-methylpiperidin-3-yl)carbamate

Standard CAS: 1206875-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206875-41-3
Multi CAS
No
Molecular Formula
C15H22N2O2
Molecular Weight
262.350000
Exact Mass
262.168128
SMILES
CC1CCN(CC1NC(=O)OC)CC2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-12-8-9-17(10-13-6-4-3-5-7-13)11-14(12)16-15(18)19-2/h3-7,12,14H,8-11H2,1-2H3,(H,16,18)
InChIKey
PECKJJLXPJQABJ-UHFFFAOYSA-N
Synonyms
Methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate Methyl 1-benzyl-4-methylpiperidin-3-yl-carbamate methyl N-(1-benzyl-4-methylpiperidin-3-yl)carbamate methyl N-[(3R,4R)-1-benzyl-4-methyl-3-piperidyl]carbamate Methyl (1-Benzyl-4-methyl-3-piperidyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.83
TPSA
41.57

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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