4-(1,4-dibenzylpiperazin-2-yl)benzonitrile

C25H25N3 — CID 77150858

IUPAC4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H25N3/c26-17-21-11-13-24(14-12-21)25-20-27(18-22-7-3-1-4-8-22)15-16-28(25)19-23-9-5-2-6-10-23/h1-14,25H,15-16,18-20H2
InChIKeyJVIPZYZCFICREU-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.62
Rot. Bonds5

About 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile

4-(1,4-dibenzylpiperazin-2-yl)benzonitrile (PubChem CID 77150858) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
PubChem CID77150858
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H25N3/c26-17-21-11-13-24(14-12-21)25-20-27(18-22-7-3-1-4-8-22)15-16-28(25)19-23-9-5-2-6-10-23/h1-14,25H,15-16,18-20H2
InChIKeyJVIPZYZCFICREU-UHFFFAOYSA-N
XLogP4.62
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)benzonitrile
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4-(1-benzylpiperidin-4-yl)benzonitrile
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CID 67001933
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
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1-benzyl-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 75217583
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
4-[(1-benzylazetidin-3-yl)methoxy]benzonitrile
CID 141369171

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile?
The IUPAC name of 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile (CID 77150858) is 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile.
What is the SMILES notation for 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile?
The canonical SMILES for 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile is N#Cc1ccc(C2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile?
The InChIKey is JVIPZYZCFICREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c26-17-21-11-13-24(14-12-21)25-20-27(18-22-7-3-1-4-8-22)15-16-28(25)19-23-9-5-2-6-10-23/h1-14,25H,15-16,18-20H2.
What are the key properties of 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile?
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile has a molecular weight of 367.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dibenzylpiperazin-2-yl)benzonitrile is sourced from PubChem (CID 77150858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).