1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

C22H27NO3 — CID 23383812

IUPAC1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCOc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1
InChIInChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3
InChIKeyOMLZFXUBBKZMRQ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (PubChem CID 23383812) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
PubChem CID23383812
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCOc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1
InChIInChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3
InChIKeyOMLZFXUBBKZMRQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 59939648
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
bis(3-methoxyphenyl)-(oxolan-2-yl)methanol
CID 102218683
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate
CID 51049667
[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
CID 54669647
methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
CID 22408189
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate;2,2,2-trifluoroacetic acid
CID 53300849
6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
CID 19992327
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methylphenyl]ethanone
CID 14407099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (CID 23383812) is 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is COc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1.
What is the InChIKey of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The InChIKey is OMLZFXUBBKZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3.
What are the key properties of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone has a molecular weight of 353.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 23383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).