[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C18H19ClN2O2 — CID 585383

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-23-17-7-5-14(6-8-17)18(22)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3
InChIKeyXBBCXMACXDIAPT-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.31
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 585383) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID585383
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-23-17-7-5-14(6-8-17)18(22)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3
InChIKeyXBBCXMACXDIAPT-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 585383) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XBBCXMACXDIAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-23-17-7-5-14(6-8-17)18(22)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 330.82 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 585383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).