3-(4-benzylpiperazin-1-yl)butanenitrile

C15H21N3 — CID 54946270

IUPAC3-(4-benzylpiperazin-1-yl)butanenitrile
SMILESCC(CC#N)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-14(7-8-16)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-6,14H,7,9-13H2,1H3
InChIKeyBCJXSVFNTOHGMD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.11
Rot. Bonds4

About 3-(4-benzylpiperazin-1-yl)butanenitrile

3-(4-benzylpiperazin-1-yl)butanenitrile (PubChem CID 54946270) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)butanenitrile
PubChem CID54946270
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(4-benzylpiperazin-1-yl)butanenitrile
SMILESCC(CC#N)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-14(7-8-16)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-6,14H,7,9-13H2,1H3
InChIKeyBCJXSVFNTOHGMD-UHFFFAOYSA-N
XLogP2.11
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 60646822
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
10-[2-(4-benzylpiperazin-1-yl)propyl]phenothiazine
CID 3029936
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
3-(4-benzyl-1,4-diazepan-1-yl)propanenitrile
CID 131217924
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)butanenitrile?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)butanenitrile (CID 54946270) is 3-(4-benzylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)butanenitrile is CC(CC#N)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)butanenitrile?
The InChIKey is BCJXSVFNTOHGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-14(7-8-16)18-11-9-17(10-12-18)13-15-5-3-2-4-6-15/h2-6,14H,7,9-13H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)butanenitrile?
3-(4-benzylpiperazin-1-yl)butanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 54946270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).