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

C14H19ClN2O — CID 3072306

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3
InChIKeyRCLBORULQAJQCF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.79
Rot. Bonds3

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

1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one (PubChem CID 3072306) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
PubChem CID3072306
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3
InChIKeyRCLBORULQAJQCF-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine
CID 101444
1-Piperazineethanol, 4-(3-chlorophenyl)-
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1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
N-Methylfentanyl
CID 527024
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CID 14960355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one (CID 3072306) is 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one?
The InChIKey is RCLBORULQAJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one has a molecular weight of 266.77 g/mol, XLogP of 2.79, 3 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]butan-1-one is sourced from PubChem (CID 3072306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).