1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone

C15H22N2O2 — CID 82265834

IUPAC1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
SMILESCC(C)c1cc(C(=O)CN2CCNCC2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11(2)13-9-12(3-4-14(13)18)15(19)10-17-7-5-16-6-8-17/h3-4,9,11,16,18H,5-8,10H2,1-2H3
InChIKeyPTYPEBRDQOLMQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.60
Rot. Bonds4

About 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone

1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone (PubChem CID 82265834) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
PubChem CID82265834
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
SMILESCC(C)c1cc(C(=O)CN2CCNCC2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11(2)13-9-12(3-4-14(13)18)15(19)10-17-7-5-16-6-8-17/h3-4,9,11,16,18H,5-8,10H2,1-2H3
InChIKeyPTYPEBRDQOLMQE-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
CID 82263629
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
2-(1,4-diazepan-1-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 116565581
1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
CID 82497581
1-(3,4-dihydroxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 163483598
methyl 4-(4-hydroxy-3-propan-2-ylphenyl)-4-oxobutanoate
CID 82550663
1-(3,4-dihydroxyphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112626494
2-(4-tert-butylpiperidin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 62091109

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone (CID 82265834) is 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone is CC(C)c1cc(C(=O)CN2CCNCC2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone?
The InChIKey is PTYPEBRDQOLMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)13-9-12(3-4-14(13)18)15(19)10-17-7-5-16-6-8-17/h3-4,9,11,16,18H,5-8,10H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone?
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).