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

C18H21ClN2 — CID 764613

IUPAC1-benzyl-4-[(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyFRIQZWIBPJLZSO-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.66
Rot. Bonds4

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

1-benzyl-4-[(4-chlorophenyl)methyl]piperazine (PubChem CID 764613) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-chlorophenyl)methyl]piperazine
PubChem CID764613
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-4-[(4-chlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyFRIQZWIBPJLZSO-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Buclizine
CID 6729
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Buclizine Hydrochloride
CID 65463
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612
1,4-Dibenzylpiperazine
CID 200601
Meclizine Monohydrochloride
CID 92303
1-(3-Chlorobenzyl)piperazine
CID 764727

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine (CID 764613) is 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine is Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine?
The InChIKey is FRIQZWIBPJLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine?
1-benzyl-4-[(4-chlorophenyl)methyl]piperazine has a molecular weight of 300.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 764613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).