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CAS 661470-63-9 3-(2-methylphenyl)piperidine molecular structure lightbox
CAS RN: 661470-63-9

3-(2-methylphenyl)piperidine

  • Product code: SSC-175793
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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: 0.25g
  • 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 661470-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

661470-63-9 / 3-(2-methylphenyl)piperidine

Standard CAS: 661470-63-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
661470-63-9
Multi CAS
Yes
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
InChI
InChI=1S/C12H17N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3
InChIKey
KQSRZADCJRPBDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.02
TPSA
12.03

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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