4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one

C16H24N2O2 — CID 83923767

IUPAC4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
SMILESCc1cccc(O)c1C(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(19)16(12)13(2)6-7-15(20)18-10-8-17-9-11-18/h3-5,13,17,19H,6-11H2,1-2H3
InChIKeyOWTLWHNCWOVXPD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds4

About 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one

4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one (PubChem CID 83923767) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
PubChem CID83923767
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
SMILESCc1cccc(O)c1C(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(19)16(12)13(2)6-7-15(20)18-10-8-17-9-11-18/h3-5,13,17,19H,6-11H2,1-2H3
InChIKeyOWTLWHNCWOVXPD-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83940218
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 83930095
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922020
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one (CID 83923767) is 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one is Cc1cccc(O)c1C(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one?
The InChIKey is OWTLWHNCWOVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-14(19)16(12)13(2)6-7-15(20)18-10-8-17-9-11-18/h3-5,13,17,19H,6-11H2,1-2H3.
What are the key properties of 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one?
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 83923767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).