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CAS 13959-11-0 2-methylpiperidin-4-ol hydrochloride molecular structure lightbox
CAS RN: 13959-11-0

2-methylpiperidin-4-ol hydrochloride

  • Product code: SSC-050207
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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: 0.1g, 0.25g, 1g
  • 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 13959-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

13959-11-0 / 2-methylpiperidin-4-ol;hydrochloride

Standard CAS: 13959-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13959-11-0
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
CC1CC(CCN1)O.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-5-4-6(8)2-3-7-5;/h5-8H,2-4H2,1H3;1H
InChIKey
DXKHDUOLFKISDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.95
TPSA
32.26

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

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