1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine

C17H19ClN2 — CID 64937509

IUPAC1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)C(c2ccccc2)CN1
InChIInChI=1S/C17H19ClN2/c1-13-12-20(16-9-7-15(18)8-10-16)17(11-19-13)14-5-3-2-4-6-14/h2-10,13,17,19H,11-12H2,1H3
InChIKeyNBGKRLSICNFXSE-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.88
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine

1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine (PubChem CID 64937509) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
PubChem CID64937509
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)C(c2ccccc2)CN1
InChIInChI=1S/C17H19ClN2/c1-13-12-20(16-9-7-15(18)8-10-16)17(11-19-13)14-5-3-2-4-6-14/h2-10,13,17,19H,11-12H2,1H3
InChIKeyNBGKRLSICNFXSE-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine (CID 64937509) is 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine is CC1CN(c2ccc(Cl)cc2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is NBGKRLSICNFXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-13-12-20(16-9-7-15(18)8-10-16)17(11-19-13)14-5-3-2-4-6-14/h2-10,13,17,19H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine?
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 286.81 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64937509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).