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CAS 89874-80-6 R(+)-3-(3-HYDROXYPHENYL)-N-PROPYLPIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 89874-80-6

R(+)-3-(3-HYDROXYPHENYL)-N-PROPYLPIPERIDINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89874-80-6
  • Purity/Analytical Methods: >99.0%
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89874-80-6 / 3-(1-propylpiperidin-3-yl)phenol;hydrochloride

Standard CAS: 89874-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89874-80-6
Multi CAS
Yes
Molecular Formula
C14H22CLNO
Molecular Weight
255.780000
Exact Mass
255.138992
InChI
InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H
InChIKey
NRHUDETYKUBQJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.06
TPSA
23.47

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

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