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CAS 1233958-86-5 N-(piperidine-4-yl)pivalamide hydrochloride molecular structure lightbox
CAS RN: 1233958-86-5

N-(piperidine-4-yl)pivalamide hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1233958-86-5
  • Purity/Analytical Methods: >99.0%
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1233958-86-5 / 2,2-dimethyl-N-piperidin-4-ylpropanamide;hydrochloride

Standard CAS: 1233958-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233958-86-5
Multi CAS
No
Molecular Formula
C10H21ClN2O
Molecular Weight
220.740000
Exact Mass
220.134241
SMILES
CC(C)(C)C(=O)NC1CCNCC1.Cl
InChI
InChI=1S/C10H20N2O.ClH/c1-10(2,3)9(13)12-8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKey
PUIFFOTZVTYDHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.74
TPSA
41.13

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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