1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile

C17H15Cl2N3 — CID 155975178

IUPAC1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H15Cl2N3/c18-14-10-15(19)16(21-11-14)22-8-6-17(12-20,7-9-22)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2
InChIKeyZNLMEQSUTGXCEV-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.45
Rot. Bonds2

About 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile

1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 155975178) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID155975178
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H15Cl2N3/c18-14-10-15(19)16(21-11-14)22-8-6-17(12-20,7-9-22)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2
InChIKeyZNLMEQSUTGXCEV-UHFFFAOYSA-N
XLogP4.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile (CID 155975178) is 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is ZNLMEQSUTGXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-14-10-15(19)16(21-11-14)22-8-6-17(12-20,7-9-22)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile?
1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 332.23 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 155975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).