1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

C23H29NO2 — CID 59939648

IUPAC1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(O)(c2c(C)cccc2C)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H29NO2/c1-16-6-5-7-17(2)22(16)23(26,21-12-14-24(4)15-13-21)20-10-8-19(9-11-20)18(3)25/h5-11,21,26H,12-15H2,1-4H3
InChIKeyOHYZFBADLLJKHY-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (PubChem CID 59939648) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
PubChem CID59939648
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(O)(c2c(C)cccc2C)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H29NO2/c1-16-6-5-7-17(2)22(16)23(26,21-12-14-24(4)15-13-21)20-10-8-19(9-11-20)18(3)25/h5-11,21,26H,12-15H2,1-4H3
InChIKeyOHYZFBADLLJKHY-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 23383812
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methylphenyl]ethanone
CID 14407099
(E)-but-2-enedioic acid;(6-chloro-2-pyridinyl)-(1-methylpiperidin-4-yl)-phenylmethanol
CID 45053545
CID 91386086
CID 91386086
1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 147617765
1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone
CID 83856150
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;ethane
CID 143205011
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (CID 59939648) is 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(C(O)(c2c(C)cccc2C)C2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The InChIKey is OHYZFBADLLJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16-6-5-7-17(2)22(16)23(26,21-12-14-24(4)15-13-21)20-10-8-19(9-11-20)18(3)25/h5-11,21,26H,12-15H2,1-4H3.
What are the key properties of 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone has a molecular weight of 351.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethylphenyl)-hydroxy-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 59939648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).