4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile

C21H24N2 — CID 24885965

IUPAC4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24N2/c22-18-21(20-11-5-2-6-12-20)13-16-23(17-14-21)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-17H2
InChIKeyXYOLVZKHEFSPGO-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.18
Rot. Bonds5

About 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile

4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile (PubChem CID 24885965) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile
PubChem CID24885965
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24N2/c22-18-21(20-11-5-2-6-12-20)13-16-23(17-14-21)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-17H2
InChIKeyXYOLVZKHEFSPGO-UHFFFAOYSA-N
XLogP4.18
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile (CID 24885965) is 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile?
The InChIKey is XYOLVZKHEFSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c22-18-21(20-11-5-2-6-12-20)13-16-23(17-14-21)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-17H2.
What are the key properties of 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile?
4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile has a molecular weight of 304.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-phenylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 24885965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).