4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile

C20H23N3 — CID 91831464

IUPAC4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCc2cccnc2)CC1
InChIInChI=1S/C20H23N3/c21-17-20(19-8-2-1-3-9-19)10-14-23(15-11-20)13-5-7-18-6-4-12-22-16-18/h1-4,6,8-9,12,16H,5,7,10-11,13-15H2
InChIKeyQRYVODDVOQFPHP-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.57
Rot. Bonds5

About 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile

4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile (PubChem CID 91831464) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
PubChem CID91831464
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCc2cccnc2)CC1
InChIInChI=1S/C20H23N3/c21-17-20(19-8-2-1-3-9-19)10-14-23(15-11-20)13-5-7-18-6-4-12-22-16-18/h1-4,6,8-9,12,16H,5,7,10-11,13-15H2
InChIKeyQRYVODDVOQFPHP-UHFFFAOYSA-N
XLogP3.57
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 57122337
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile (CID 91831464) is 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCCc2cccnc2)CC1.
What is the InChIKey of 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile?
The InChIKey is QRYVODDVOQFPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c21-17-20(19-8-2-1-3-9-19)10-14-23(15-11-20)13-5-7-18-6-4-12-22-16-18/h1-4,6,8-9,12,16H,5,7,10-11,13-15H2.
What are the key properties of 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile?
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile has a molecular weight of 305.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 91831464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).