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

C22H25ClN2O2 — CID 27456079

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2cccc(Cl)c2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H25ClN2O2/c23-19-7-4-8-20(17-19)24-11-13-25(14-12-24)21(26)22(9-15-27-16-10-22)18-5-2-1-3-6-18/h1-8,17H,9-16H2
InChIKeyJZDOFPPKGZHZDJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.74
Rot. Bonds3

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

[4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 27456079) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID27456079
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2cccc(Cl)c2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H25ClN2O2/c23-19-7-4-8-20(17-19)24-11-13-25(14-12-24)21(26)22(9-15-27-16-10-22)18-5-2-1-3-6-18/h1-8,17H,9-16H2
InChIKeyJZDOFPPKGZHZDJ-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.74
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-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 27456079) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCN(c2cccc(Cl)c2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is JZDOFPPKGZHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-7-4-8-20(17-19)24-11-13-25(14-12-24)21(26)22(9-15-27-16-10-22)18-5-2-1-3-6-18/h1-8,17H,9-16H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 384.91 g/mol, XLogP of 3.74, 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-phenyloxan-4-yl)methanone is sourced from PubChem (CID 27456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).