1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one

C15H21ClN2O2 — CID 79016503

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
SMILESO=C(CCCCO)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-3-5-14(12-13)17-7-9-18(10-8-17)15(20)6-1-2-11-19/h3-5,12,19H,1-2,6-11H2
InChIKeyARXNCNCFHXCMPW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.15
Rot. Bonds5

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one (PubChem CID 79016503) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
PubChem CID79016503
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
SMILESO=C(CCCCO)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-3-5-14(12-13)17-7-9-18(10-8-17)15(20)6-1-2-11-19/h3-5,12,19H,1-2,6-11H2
InChIKeyARXNCNCFHXCMPW-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-(4-chloro-2-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
CID 2095510
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one (CID 79016503) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one is O=C(CCCCO)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one?
The InChIKey is ARXNCNCFHXCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-4-3-5-14(12-13)17-7-9-18(10-8-17)15(20)6-1-2-11-19/h3-5,12,19H,1-2,6-11H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one is sourced from PubChem (CID 79016503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).