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CAS 1339651-90-9 4-neopentylpiperidin-4-ol molecular structure lightbox
CAS RN: 1339651-90-9

4-neopentylpiperidin-4-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1339651-90-9
  • Purity/Analytical Methods: >99.0%
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1339651-90-9 / 4-(2-methylpropyl)piperidin-4-ol

Standard CAS: 1339651-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339651-90-9
Multi CAS
No
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
SMILES
CC(C)CC1(CCNCC1)O
InChI
InChI=1S/C9H19NO/c1-8(2)7-9(11)3-5-10-6-4-9/h8,10-11H,3-7H2,1-2H3
InChIKey
UUKSWUYLKRUYEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.51
TPSA
32.26

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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