5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one

C16H24N2O2 — CID 79199880

IUPAC5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCCO)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-14-5-4-6-15(13-14)17-8-10-18(11-9-17)16(20)7-2-3-12-19/h4-6,13,19H,2-3,7-12H2,1H3
InChIKeyYCGXQHLYRZNHNU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds5

About 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one

5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 79199880) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
PubChem CID79199880
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCCCO)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-14-5-4-6-15(13-14)17-8-10-18(11-9-17)16(20)7-2-3-12-19/h4-6,13,19H,2-3,7-12H2,1H3
InChIKeyYCGXQHLYRZNHNU-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
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

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
CID 82846569
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
(2S)-2-amino-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 23007958
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
1-(2-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 110413769

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one (CID 79199880) is 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one is Cc1cccc(N2CCN(C(=O)CCCCO)CC2)c1.
What is the InChIKey of 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is YCGXQHLYRZNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14-5-4-6-15(13-14)17-8-10-18(11-9-17)16(20)7-2-3-12-19/h4-6,13,19H,2-3,7-12H2,1H3.
What are the key properties of 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one?
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 79199880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).