cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone

C11H19NO2 — CID 127015560

IUPACcyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
SMILESCC1C(O)CCCN1C(=O)C1CCC1
InChIInChI=1S/C11H19NO2/c1-8-10(13)6-3-7-12(8)11(14)9-4-2-5-9/h8-10,13H,2-7H2,1H3
InChIKeySAYKKCSMGSYFHS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds1

About cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone

cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone (PubChem CID 127015560) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
PubChem CID127015560
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
SMILESCC1C(O)CCCN1C(=O)C1CCC1
InChIInChI=1S/C11H19NO2/c1-8-10(13)6-3-7-12(8)11(14)9-4-2-5-9/h8-10,13H,2-7H2,1H3
InChIKeySAYKKCSMGSYFHS-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
cyclobutyl-(2-methyl-1,3-oxazinan-3-yl)methanone
CID 110739832
(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115367
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
CID 102786836
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
CID 146358075

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone (CID 127015560) is cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone is CC1C(O)CCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone?
The InChIKey is SAYKKCSMGSYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-10(13)6-3-7-12(8)11(14)9-4-2-5-9/h8-10,13H,2-7H2,1H3.
What are the key properties of cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone?
cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 127015560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).