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

C17H18Cl2N2 — CID 285510

IUPAC1-[bis(4-chlorophenyl)methyl]piperazine
SMILESC1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyPTLFMGDNZYQISN-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.10
Rot. Bonds3

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

1-[Bis(4-chlorophenyl)methyl]piperazine (PubChem CID 285510) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[Bis(4-chlorophenyl)methyl]piperazine
PubChem CID285510
Molecular FormulaC17H18Cl2N2
Molecular Weight321.20 g/mol
Exact Mass320.08
IUPAC Name1-[bis(4-chlorophenyl)methyl]piperazine
SMILESC1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKeyPTLFMGDNZYQISN-UHFFFAOYSA-N
XLogP4.10
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
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
Clobenzorex
CID 735998
Benzhydrylpiperazine
CID 70048
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675

Frequently Asked Questions

What is the IUPAC name of 1-[Bis(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[Bis(4-chlorophenyl)methyl]piperazine (CID 285510) is 1-[bis(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[Bis(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[Bis(4-chlorophenyl)methyl]piperazine is C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.
What is the InChIKey of 1-[Bis(4-chlorophenyl)methyl]piperazine?
The InChIKey is PTLFMGDNZYQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2.
What are the key properties of 1-[Bis(4-chlorophenyl)methyl]piperazine?
1-[Bis(4-chlorophenyl)methyl]piperazine has a molecular weight of 321.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[Bis(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 285510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).