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

C18H27N3 — CID 61006040

IUPAC4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESCC(C)CNC1(C#N)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-16(2)14-20-18(15-19)9-12-21(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,16,20H,8-14H2,1-2H3
InChIKeyNUAJZXLUHIPLFY-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.83
Rot. Bonds6

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

4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 61006040) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
PubChem CID61006040
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESCC(C)CNC1(C#N)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-16(2)14-20-18(15-19)9-12-21(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,16,20H,8-14H2,1-2H3
InChIKeyNUAJZXLUHIPLFY-UHFFFAOYSA-N
XLogP2.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 80610896
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
CID 83269180
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
N-(2-methylpropylcarbamoyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943993
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile (CID 61006040) is 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile is CC(C)CNC1(C#N)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is NUAJZXLUHIPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-16(2)14-20-18(15-19)9-12-21(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,16,20H,8-14H2,1-2H3.
What are the key properties of 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile?
4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 285.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 61006040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).