3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile

C17H25N3 — CID 62779229

IUPAC3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
SMILESCCCN(C1CCNCC1)C(CC#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-14-20(16-9-12-19-13-10-16)17(8-11-18)15-6-4-3-5-7-15/h3-7,16-17,19H,2,8-10,12-14H2,1H3
InChIKeyPNPNKMVQDYACTN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.11
Rot. Bonds6

About 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile

3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile (PubChem CID 62779229) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile.

Molecular Properties

Compound Name3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
PubChem CID62779229
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
SMILESCCCN(C1CCNCC1)C(CC#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-14-20(16-9-12-19-13-10-16)17(8-11-18)15-6-4-3-5-7-15/h3-7,16-17,19H,2,8-10,12-14H2,1H3
InChIKeyPNPNKMVQDYACTN-UHFFFAOYSA-N
XLogP3.11
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)-N-propylpyrrolidin-3-amine
CID 63300659
3-[piperidin-4-yl(propyl)amino]pentanenitrile
CID 60805985
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
CID 55248926
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
3-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenylpropanenitrile
CID 62780068
3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
N-ethyl-N-(3-methyl-1-phenylbutyl)pyrrolidin-3-amine
CID 63299236
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile?
The IUPAC name of 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile (CID 62779229) is 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile.
What is the SMILES notation for 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile?
The canonical SMILES for 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile is CCCN(C1CCNCC1)C(CC#N)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile?
The InChIKey is PNPNKMVQDYACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-14-20(16-9-12-19-13-10-16)17(8-11-18)15-6-4-3-5-7-15/h3-7,16-17,19H,2,8-10,12-14H2,1H3.
What are the key properties of 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile?
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile is sourced from PubChem (CID 62779229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).