1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine

C25H27ClN2O — CID 11689993

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClN2O/c1-29-24-10-6-5-9-22(24)19-27-15-17-28(18-16-27)25(20-7-3-2-4-8-20)21-11-13-23(26)14-12-21/h2-14,25H,15-19H2,1H3
InChIKeyXSAPJYHPDNRSJN-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.26
Rot. Bonds6

About 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine

1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 11689993) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID11689993
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClN2O/c1-29-24-10-6-5-9-22(24)19-27-15-17-28(18-16-27)25(20-7-3-2-4-8-20)21-11-13-23(26)14-12-21/h2-14,25H,15-19H2,1H3
InChIKeyXSAPJYHPDNRSJN-UHFFFAOYSA-N
XLogP5.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine (CID 11689993) is 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine is COc1ccccc1CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is XSAPJYHPDNRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-29-24-10-6-5-9-22(24)19-27-15-17-28(18-16-27)25(20-7-3-2-4-8-20)21-11-13-23(26)14-12-21/h2-14,25H,15-19H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine?
1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 406.96 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 11689993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).