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

C18H21ClN2O — CID 667663

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O/c1-22-18-8-6-17(7-9-18)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3
InChIKeyLDFDADHJDLSZHP-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.67
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 667663) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID667663
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O/c1-22-18-8-6-17(7-9-18)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3
InChIKeyLDFDADHJDLSZHP-UHFFFAOYSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine (CID 667663) is 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is LDFDADHJDLSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-8-6-17(7-9-18)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 316.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 667663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).