1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine

C18H21ClN2O — CID 782220

IUPAC1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H21ClN2O/c1-22-18-7-3-6-17(13-18)21-10-8-20(9-11-21)14-15-4-2-5-16(19)12-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyOSPMWQLNNLFNSG-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.67
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine

1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 782220) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID782220
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H21ClN2O/c1-22-18-7-3-6-17(13-18)21-10-8-20(9-11-21)14-15-4-2-5-16(19)12-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyOSPMWQLNNLFNSG-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine (CID 782220) is 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is OSPMWQLNNLFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-7-3-6-17(13-18)21-10-8-20(9-11-21)14-15-4-2-5-16(19)12-15/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
1-[(3-chlorophenyl)methyl]-4-(3-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-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 782220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).