1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile

C17H16ClN3 — CID 45274287

IUPAC1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H16ClN3/c18-16-12-20-11-15(14-4-2-1-3-5-14)17(16)21-8-6-13(10-19)7-9-21/h1-5,11-13H,6-9H2
InChIKeyNZMRXADDALADJO-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.14
Rot. Bonds2

About 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile

1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile (PubChem CID 45274287) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile
PubChem CID45274287
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H16ClN3/c18-16-12-20-11-15(14-4-2-1-3-5-14)17(16)21-8-6-13(10-19)7-9-21/h1-5,11-13H,6-9H2
InChIKeyNZMRXADDALADJO-UHFFFAOYSA-N
XLogP4.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile (CID 45274287) is 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile is N#CC1CCN(c2c(Cl)cncc2-c2ccccc2)CC1.
What is the InChIKey of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile?
The InChIKey is NZMRXADDALADJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-12-20-11-15(14-4-2-1-3-5-14)17(16)21-8-6-13(10-19)7-9-21/h1-5,11-13H,6-9H2.
What are the key properties of 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile?
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carbonitrile is sourced from PubChem (CID 45274287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).