4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one

C19H26N2O3 — CID 128556874

IUPAC4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one
SMILESCC1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CCC(=O)CC1
InChIInChI=1S/C19H26N2O3/c1-19(7-5-16(22)6-8-19)18(24)21-11-9-20(10-12-21)14-15-3-2-4-17(23)13-15/h2-4,13,23H,5-12,14H2,1H3
InChIKeyVORIZQIOGPOFQH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.19
Rot. Bonds3

About 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one

4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one (PubChem CID 128556874) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one
PubChem CID128556874
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one
SMILESCC1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CCC(=O)CC1
InChIInChI=1S/C19H26N2O3/c1-19(7-5-16(22)6-8-19)18(24)21-11-9-20(10-12-21)14-15-3-2-4-17(23)13-15/h2-4,13,23H,5-12,14H2,1H3
InChIKeyVORIZQIOGPOFQH-UHFFFAOYSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126792256
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[(3-hydroxyphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161649
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119873868

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one?
The IUPAC name of 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one (CID 128556874) is 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one is CC1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CCC(=O)CC1.
What is the InChIKey of 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one?
The InChIKey is VORIZQIOGPOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(7-5-16(22)6-8-19)18(24)21-11-9-20(10-12-21)14-15-3-2-4-17(23)13-15/h2-4,13,23H,5-12,14H2,1H3.
What are the key properties of 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one?
4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 128556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).