1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine

C24H25ClN2 — CID 4738631

IUPAC1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Cc3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C24H25ClN2/c25-23-12-10-22(11-13-23)24(27-16-14-26-15-17-27)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-13,24,26H,14-18H2
InChIKeyNIBVGQICPZNWDK-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.93
Rot. Bonds5

About 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine

1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine (PubChem CID 4738631) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
PubChem CID4738631
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(C(c2ccc(Cc3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C24H25ClN2/c25-23-12-10-22(11-13-23)24(27-16-14-26-15-17-27)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-13,24,26H,14-18H2
InChIKeyNIBVGQICPZNWDK-UHFFFAOYSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine (CID 4738631) is 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine is Clc1ccc(C(c2ccc(Cc3ccccc3)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine?
The InChIKey is NIBVGQICPZNWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2/c25-23-12-10-22(11-13-23)24(27-16-14-26-15-17-27)21-8-6-20(7-9-21)18-19-4-2-1-3-5-19/h1-13,24,26H,14-18H2.
What are the key properties of 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine?
1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine has a molecular weight of 376.93 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 4738631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).