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CAS 1215020-95-3 2-(PIPERIDIN-2-YL)ETHANOL HCL molecular structure lightbox
CAS RN: 1215020-95-3

2-(PIPERIDIN-2-YL)ETHANOL HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1215020-95-3
  • Purity/Analytical Methods: >99.0%
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1215020-95-3 / 2-piperidin-2-ylethanol;hydrochloride

Standard CAS: 1215020-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215020-95-3
Multi CAS
No
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
C1CCNC(C1)CCO.Cl
InChI
InChI=1S/C7H15NO.ClH/c9-6-4-7-3-1-2-5-8-7;/h7-9H,1-6H2;1H
InChIKey
LJOCPKDUBFJADK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.59
TPSA
32.26

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.07

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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