1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone

C16H23NO2 — CID 117020720

IUPAC1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(CO)CC2(C)C)c1
InChIInChI=1S/C16H23NO2/c1-12(19)14-5-4-6-15(9-14)17-8-7-13(11-18)10-16(17,2)3/h4-6,9,13,18H,7-8,10-11H2,1-3H3
InChIKeyADPGWBPLHAIZON-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.88
Rot. Bonds3

About 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone

1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone (PubChem CID 117020720) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
PubChem CID117020720
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(CO)CC2(C)C)c1
InChIInChI=1S/C16H23NO2/c1-12(19)14-5-4-6-15(9-14)17-8-7-13(11-18)10-16(17,2)3/h4-6,9,13,18H,7-8,10-11H2,1-3H3
InChIKeyADPGWBPLHAIZON-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
methyl 3-(4-hydroxy-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019990
1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117021047
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105471558
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone (CID 117020720) is 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone is CC(=O)c1cccc(N2CCC(CO)CC2(C)C)c1.
What is the InChIKey of 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
The InChIKey is ADPGWBPLHAIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(19)14-5-4-6-15(9-14)17-8-7-13(11-18)10-16(17,2)3/h4-6,9,13,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone?
1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 117020720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).