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CAS 1082040-34-3 4-Methoxy-piperidine-4-carbonitrile Hydrochloride molecular structure lightbox
CAS RN: 1082040-34-3

4-Methoxy-piperidine-4-carbonitrile Hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1082040-34-3
  • Purity/Analytical Methods: >99.0%
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1082040-34-3 / 4-methoxypiperidine-4-carbonitrile

4-methoxypiperidine-4-carbonitrile | 4-Methoxy-piperidine-4-carbonitrile hydrochloride | 4-Methoxy-4-piperidinecarbonitrile

Standard CAS: 1082040-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1082040-34-3
Multi CAS
Yes
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
COC1(CCNCC1)C#N
InChI
InChI=1S/C7H12N2O/c1-10-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKey
NBWMIYQWSBWXCA-UHFFFAOYSA-N
Synonyms
4-methoxypiperidine-4-carbonitrile 4-Methoxy-piperidine-4-carbonitrile hydrochloride 4-Methoxy-4-piperidinecarbonitrile DTXSID801297454 4-Piperidinecarbonitrile, 4-methoxy-

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.46
TPSA
45.05

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
-0.2
Consensus LogP
0.11
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-3.38

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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