1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile

C20H24N4 — CID 77083519

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCN(C)c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4/c1-23(2)19-9-8-17(14-22-19)15-24-12-10-20(16-21,11-13-24)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyUGZRMXBICGJSJO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.20
Rot. Bonds4

About 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile

1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 77083519) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID77083519
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCN(C)c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4/c1-23(2)19-9-8-17(14-22-19)15-24-12-10-20(16-21,11-13-24)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyUGZRMXBICGJSJO-UHFFFAOYSA-N
XLogP3.20
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77097038
1-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 131908217
1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
CID 175651313
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77079767
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile (CID 77083519) is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile is CN(C)c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cn1.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is UGZRMXBICGJSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-23(2)19-9-8-17(14-22-19)15-24-12-10-20(16-21,11-13-24)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile?
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 77083519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).