3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile

C17H19N3 — CID 3044601

IUPAC3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
SMILESN#CCCN1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H19N3/c18-8-3-9-19-10-12-20(13-11-19)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-7,14H,3,9-13H2
InChIKeyFHNHWQLPUDGKFF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile

3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile (PubChem CID 3044601) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
PubChem CID3044601
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
SMILESN#CCCN1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H19N3/c18-8-3-9-19-10-12-20(13-11-19)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-7,14H,3,9-13H2
InChIKeyFHNHWQLPUDGKFF-UHFFFAOYSA-N
XLogP2.88
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
3-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]propanenitrile
CID 3040008
1-anthracen-2-ylaziridine
CID 140967358
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxybenzoic acid
CID 4741741
2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
CID 117028312
3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propanenitrile
CID 117028309
3-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]propanenitrile
CID 139508001
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanenitrile
CID 22397534
3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
CID 56821592
4-methyl-5-[3-(4-naphthalen-2-ylpiperazin-1-yl)propylsulfanyl]-1,2,4-triazol-3-amine
CID 21345717
3-(4-benzyl-1,4-diazepan-1-yl)propanenitrile
CID 131217924
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile?
The IUPAC name of 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile (CID 3044601) is 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile is N#CCCN1CCN(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile?
The InChIKey is FHNHWQLPUDGKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-8-3-9-19-10-12-20(13-11-19)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-7,14H,3,9-13H2.
What are the key properties of 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile?
3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile has a molecular weight of 265.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 3044601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).