2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile

C24H23N3O — CID 25343963

IUPAC2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H23N3O/c25-17-21-5-1-2-6-22(21)20-11-9-19(10-12-20)18-26-13-15-27(16-14-26)23-7-3-4-8-24(23)28/h1-12,28H,13-16,18H2
InChIKeyFYLOBNWSQJJFHN-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.25
Rot. Bonds4

About 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile

2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile (PubChem CID 25343963) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
PubChem CID25343963
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H23N3O/c25-17-21-5-1-2-6-22(21)20-11-9-19(10-12-20)18-26-13-15-27(16-14-26)23-7-3-4-8-24(23)28/h1-12,28H,13-16,18H2
InChIKeyFYLOBNWSQJJFHN-UHFFFAOYSA-N
XLogP4.25
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 30739189
4-[[4-(2-cyanophenyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 75386146
tert-butyl 4-[[4-(2-cyanophenyl)phenyl]methyl]piperazine-1-carboxylate
CID 16740697
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
2-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 31262539
2-[4-[(4-benzylsulfonylpiperazin-1-yl)methyl]phenyl]benzonitrile
CID 16618131
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
2-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile
CID 16618086
1-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-3-oxoindene-2-carbonitrile
CID 10252660
5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2-methylbenzoyl chloride
CID 134500306

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile (CID 25343963) is 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
The InChIKey is FYLOBNWSQJJFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c25-17-21-5-1-2-6-22(21)20-11-9-19(10-12-20)18-26-13-15-27(16-14-26)23-7-3-4-8-24(23)28/h1-12,28H,13-16,18H2.
What are the key properties of 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile?
2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 25343963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).