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CAS 625454-21-9 3-(4-METHOXYBENZYL)PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 625454-21-9

3-(4-METHOXYBENZYL)PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-171758
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 625454-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry

625454-21-9 / 3-[(4-methoxyphenyl)methyl]piperidine;hydrochloride

Standard CAS: 625454-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
625454-21-9
Multi CAS
Yes
Molecular Formula
C13H20CLNO
Molecular Weight
241.760000
Exact Mass
241.123342
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12;/h4-7,12,14H,2-3,8-10H2,1H3;1H
InChIKey
RHHZAZRBJHYYSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.54
TPSA
21.26

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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