1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one

C16H24N2O2 — CID 112763089

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)3-8-16(20)18-11-9-17(10-12-18)14-4-6-15(19)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyHWKVZHIGRQSACN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 112763089) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID112763089
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)3-8-16(20)18-11-9-17(10-12-18)14-4-6-15(19)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyHWKVZHIGRQSACN-UHFFFAOYSA-N
XLogP2.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
CID 172566025
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113078712
1-[4-(4-aminophenyl)piperazin-1-yl]-4-(4-hydroxyphenyl)butane-1,4-dione
CID 67548645
3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78777482

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one (CID 112763089) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is HWKVZHIGRQSACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)3-8-16(20)18-11-9-17(10-12-18)14-4-6-15(19)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 112763089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).