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CAS 170302-87-1 3-Piperidinemethanol, 1-acetyl- (9CI) molecular structure lightbox
CAS RN: 170302-87-1

3-Piperidinemethanol, 1-acetyl- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS170302-87-1
  • Purity/Analytical Methods: >99.0%
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170302-87-1 / 1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

Standard CAS: 170302-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170302-87-1
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CC(=O)N1CCCC(C1)CO
InChI
InChI=1S/C8H15NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h8,10H,2-6H2,1H3
InChIKey
SPVDEFLVIBQUIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.06
TPSA
40.54

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
-0.2
Consensus LogP
0.08
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-3.51

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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