2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one

C9H17NO2 — CID 86060636

IUPAC2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC(O)C(=O)N1CCCCC1C
InChIInChI=1S/C9H17NO2/c1-7-5-3-4-6-10(7)9(12)8(2)11/h7-8,11H,3-6H2,1-2H3
InChIKeyFUAWIJHDNNNYRE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds1

About 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one

2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 86060636) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID86060636
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC(O)C(=O)N1CCCCC1C
InChIInChI=1S/C9H17NO2/c1-7-5-3-4-6-10(7)9(12)8(2)11/h7-8,11H,3-6H2,1-2H3
InChIKeyFUAWIJHDNNNYRE-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one
CID 124738449

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one (CID 86060636) is 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one is CC(O)C(=O)N1CCCCC1C.
What is the InChIKey of 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FUAWIJHDNNNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-3-4-6-10(7)9(12)8(2)11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one?
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 86060636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).