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CAS 162686-53-5 1-Benzyl-4-(hydroxymethyl)piperidine-4-carbonitrile molecular structure lightbox
CAS RN: 162686-53-5

1-Benzyl-4-(hydroxymethyl)piperidine-4-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-070083
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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: ＞97%
  • 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 162686-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

162686-53-5 / 1-benzyl-4-(hydroxymethyl)piperidine-4-carbonitrile

Standard CAS: 162686-53-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162686-53-5
Multi CAS
No
Molecular Formula
C14H18N2O
Molecular Weight
230.310000
Exact Mass
230.141913
SMILES
C1CN(CCC1(CO)C#N)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O/c15-11-14(12-17)6-8-16(9-7-14)10-13-4-2-1-3-5-13/h1-5,17H,6-10,12H2
InChIKey
AXPSSIFICGGLAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.08
TPSA
47.26

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.1
Consensus LogP
1.48
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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