1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine

C18H20Cl2N2 — CID 3065515

IUPAC1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15/h2-9,18H,10-13H2,1H3
InChIKeyUVQVBDRHJUMBET-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.33
Rot. Bonds3

About 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine

1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine (PubChem CID 3065515) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine
PubChem CID3065515
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15/h2-9,18H,10-13H2,1H3
InChIKeyUVQVBDRHJUMBET-UHFFFAOYSA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine (CID 3065515) is 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine is CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine?
The InChIKey is UVQVBDRHJUMBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15/h2-9,18H,10-13H2,1H3.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine?
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine has a molecular weight of 335.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).