2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile

C18H25N3 — CID 64538266

IUPAC2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
SMILESN#CC(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H25N3/c19-12-17(15-6-2-1-3-7-15)14-21-11-5-8-16(13-21)18-9-4-10-20-18/h1-3,6-7,16-18,20H,4-5,8-11,13-14H2
InChIKeyITHMTWFBPCHZNR-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.76
Rot. Bonds4

About 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile

2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile (PubChem CID 64538266) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
PubChem CID64538266
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
SMILESN#CC(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C18H25N3/c19-12-17(15-6-2-1-3-7-15)14-21-11-5-8-16(13-21)18-9-4-10-20-18/h1-3,6-7,16-18,20H,4-5,8-11,13-14H2
InChIKeyITHMTWFBPCHZNR-UHFFFAOYSA-N
XLogP2.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
CID 64536940
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
ethyl (3S)-1-(2-cyano-2-phenylethyl)piperidine-3-carboxylate
CID 115536524
(4aS,7aS)-6-benzhydryl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67445491
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile (CID 64538266) is 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile is N#CC(CN1CCCC(C2CCCN2)C1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile?
The InChIKey is ITHMTWFBPCHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c19-12-17(15-6-2-1-3-7-15)14-21-11-5-8-16(13-21)18-9-4-10-20-18/h1-3,6-7,16-18,20H,4-5,8-11,13-14H2.
What are the key properties of 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile?
2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile has a molecular weight of 283.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 64538266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).