1,4-bis[(2-chlorophenyl)methyl]piperazine

C18H20Cl2N2 — CID 17267323

IUPAC1,4-bis[(2-chlorophenyl)methyl]piperazine
SMILESClc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2/c19-17-7-3-1-5-15(17)13-21-9-11-22(12-10-21)14-16-6-2-4-8-18(16)20/h1-8H,9-14H2
InChIKeyMMCVUBRKOSEOKU-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.31
Rot. Bonds4

About 1,4-bis[(2-chlorophenyl)methyl]piperazine

1,4-bis[(2-chlorophenyl)methyl]piperazine (PubChem CID 17267323) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1,4-bis[(2-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2-chlorophenyl)methyl]piperazine
PubChem CID17267323
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1,4-bis[(2-chlorophenyl)methyl]piperazine
SMILESClc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2/c19-17-7-3-1-5-15(17)13-21-9-11-22(12-10-21)14-16-6-2-4-8-18(16)20/h1-8H,9-14H2
InChIKeyMMCVUBRKOSEOKU-UHFFFAOYSA-N
XLogP4.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-chlorophenyl)methyl]piperazine?
The IUPAC name of 1,4-bis[(2-chlorophenyl)methyl]piperazine (CID 17267323) is 1,4-bis[(2-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(2-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(2-chlorophenyl)methyl]piperazine is Clc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1,4-bis[(2-chlorophenyl)methyl]piperazine?
The InChIKey is MMCVUBRKOSEOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c19-17-7-3-1-5-15(17)13-21-9-11-22(12-10-21)14-16-6-2-4-8-18(16)20/h1-8H,9-14H2.
What are the key properties of 1,4-bis[(2-chlorophenyl)methyl]piperazine?
1,4-bis[(2-chlorophenyl)methyl]piperazine has a molecular weight of 335.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 17267323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).