4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile

C20H23N3 — CID 828001

IUPAC4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c21-17-20(22-19-9-5-2-6-10-19)12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,22H,11-16H2
InChIKeyVWCPMNASPOCMNY-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.70
Rot. Bonds5

About 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile

4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 828001) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile
PubChem CID828001
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c21-17-20(22-19-9-5-2-6-10-19)12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,22H,11-16H2
InChIKeyVWCPMNASPOCMNY-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile (CID 828001) is 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile is N#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is VWCPMNASPOCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c21-17-20(22-19-9-5-2-6-10-19)12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,22H,11-16H2.
What are the key properties of 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile?
4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 305.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 828001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).