1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine

C24H25ClN2 — CID 164901756

IUPAC1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)CCN1
InChIInChI=1S/C24H25ClN2/c1-19-18-27(17-16-26-19)24(20-10-4-2-5-11-20,21-12-6-3-7-13-21)22-14-8-9-15-23(22)25/h2-15,19,26H,16-18H2,1H3
InChIKeyCZZAFQOBSDNRPD-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.93
Rot. Bonds4

About 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine

1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine (PubChem CID 164901756) has the molecular formula C24H25ClN2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine
PubChem CID164901756
Molecular FormulaC24H25ClN2
Molecular Weight376.93 g/mol
Exact Mass376.17
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine
SMILESCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)CCN1
InChIInChI=1S/C24H25ClN2/c1-19-18-27(17-16-26-19)24(20-10-4-2-5-11-20,21-12-6-3-7-13-21)22-14-8-9-15-23(22)25/h2-15,19,26H,16-18H2,1H3
InChIKeyCZZAFQOBSDNRPD-UHFFFAOYSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine (CID 164901756) is 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine is CC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)CCN1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine?
The InChIKey is CZZAFQOBSDNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2/c1-19-18-27(17-16-26-19)24(20-10-4-2-5-11-20,21-12-6-3-7-13-21)22-14-8-9-15-23(22)25/h2-15,19,26H,16-18H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine?
1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine has a molecular weight of 376.93 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine is sourced from PubChem (CID 164901756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).