1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

C19H21ClN2O — CID 727056

IUPAC1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyIELISHYYIJUUCX-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 727056) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID727056
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyIELISHYYIJUUCX-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (CID 727056) is 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is IELISHYYIJUUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-8-6-16(7-9-17)19(23)10-11-21-12-14-22(15-13-21)18-4-2-1-3-5-18/h1-9H,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 328.84 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 727056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).