1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone

C14H19NO2 — CID 93040634

IUPAC1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(17)15-8-2-3-13(16)10-15/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyDXTURYHAWVPYBT-CYBMUJFWSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone

1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 93040634) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID93040634
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(17)15-8-2-3-13(16)10-15/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyDXTURYHAWVPYBT-CYBMUJFWSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
1-(3-hydroxypiperidin-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 110881980

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 93040634) is 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCC[C@@H](O)C2)cc1.
What is the InChIKey of 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is DXTURYHAWVPYBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(17)15-8-2-3-13(16)10-15/h4-7,13,16H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 93040634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).