2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile

C18H27N3 — CID 62091469

IUPAC2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
SMILESCC(C)(C)C1CCN(CC(N)(C#N)c2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-17(2,3)15-9-11-21(12-10-15)14-18(20,13-19)16-7-5-4-6-8-16/h4-8,15H,9-12,14,20H2,1-3H3
InChIKeyLHRJRVGMUVYKNS-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile

2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile (PubChem CID 62091469) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
PubChem CID62091469
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
SMILESCC(C)(C)C1CCN(CC(N)(C#N)c2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-17(2,3)15-9-11-21(12-10-15)14-18(20,13-19)16-7-5-4-6-8-16/h4-8,15H,9-12,14,20H2,1-3H3
InChIKeyLHRJRVGMUVYKNS-UHFFFAOYSA-N
XLogP3.12
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-phenylpiperidine-4-carbonitrile
CID 62513
1-Benzyl-4-cyano-4-phenylpiperidine
CID 191408
Levemopamil
CID 72027
Emopamil, (+)-
CID 44398114
Emopamil
CID 25202343
1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile
CID 70558
alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile
CID 98062
1-Benzyl-4-(methylamino)piperidine-4-carbonitrile
CID 70378
5-[Methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile
CID 71225
2-(2-Phenyl-2-(piperazin-1-yl)ethyl)benzonitrile
CID 44414735
1-Isobutyl-4-phenylpiperidine-4-carbonitrile
CID 13046858
2-(1,2,5-Trimethyl-4-phenyl-piperidin-4-yl)-ethylamine
CID 16682051

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile?
The IUPAC name of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile (CID 62091469) is 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile.
What is the SMILES notation for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile?
The canonical SMILES for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile is CC(C)(C)C1CCN(CC(N)(C#N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile?
The InChIKey is LHRJRVGMUVYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-17(2,3)15-9-11-21(12-10-15)14-18(20,13-19)16-7-5-4-6-8-16/h4-8,15H,9-12,14,20H2,1-3H3.
What are the key properties of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile?
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile is sourced from PubChem (CID 62091469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).