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CAS 15991-59-0 (+/-)-2-PROPYLPIPERIDINE HYDROCHLORIDE* molecular structure lightbox
CAS RN: 15991-59-0

(+/-)-2-PROPYLPIPERIDINE HYDROCHLORIDE*

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shanghai Inquiry
Batchno.20251127 1g In stock Shanghai Inquiry
Batchno.20260205 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS15991-59-0
  • Purity/Analytical Methods: >99.0%
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15991-59-0 / 2-propylpiperidine;hydrochloride

Standard CAS: 15991-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15991-59-0
Multi CAS
No
Molecular Formula
C8H18ClN
Molecular Weight
163.690000
Exact Mass
163.112777
SMILES
CCCC1CCCCN1.Cl
InChI
InChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H
InChIKey
JXBWZNQZRWZJIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.8
TPSA
12.03

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.35
Consensus LogP
2.25
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.05

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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