2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile

C18H27N3 — CID 83045205

IUPAC2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCCCN1CC(C#N)(NC)c1ccccc1
InChIInChI=1S/C18H27N3/c1-3-9-17-12-7-8-13-21(17)15-18(14-19,20-2)16-10-5-4-6-11-16/h4-6,10-11,17,20H,3,7-9,12-13,15H2,1-2H3
InChIKeyBUROTKNUUCXPHF-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds6

About 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile

2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile (PubChem CID 83045205) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
PubChem CID83045205
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCCCN1CC(C#N)(NC)c1ccccc1
InChIInChI=1S/C18H27N3/c1-3-9-17-12-7-8-13-21(17)15-18(14-19,20-2)16-10-5-4-6-11-16/h4-6,10-11,17,20H,3,7-9,12-13,15H2,1-2H3
InChIKeyBUROTKNUUCXPHF-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692306
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
4-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692549
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
4-(cyclopentylmethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692999
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile (CID 83045205) is 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile is CCCC1CCCCN1CC(C#N)(NC)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile?
The InChIKey is BUROTKNUUCXPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-9-17-12-7-8-13-21(17)15-18(14-19,20-2)16-10-5-4-6-11-16/h4-6,10-11,17,20H,3,7-9,12-13,15H2,1-2H3.
What are the key properties of 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile?
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 83045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).