1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

C13H17ClN2O — CID 3483967

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(17)16-8-6-15(7-9-16)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3
InChIKeyYBYSFJAWXBXZBP-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.40
Rot. Bonds2

About 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 3483967) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID3483967
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(17)16-8-6-15(7-9-16)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3
InChIKeyYBYSFJAWXBXZBP-UHFFFAOYSA-N
XLogP2.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one (CID 3483967) is 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is YBYSFJAWXBXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-13(17)16-8-6-15(7-9-16)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 252.75 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3483967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).