1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one

C10H19NO2 — CID 127011430

IUPAC1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)CC1C
InChIInChI=1S/C10H19NO2/c1-7(2)10(13)11-5-4-9(12)6-8(11)3/h7-9,12H,4-6H2,1-3H3
InChIKeyLIDARODMXDTRRJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.01
Rot. Bonds1

About 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one

1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 127011430) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID127011430
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)CC1C
InChIInChI=1S/C10H19NO2/c1-7(2)10(13)11-5-4-9(12)6-8(11)3/h7-9,12H,4-6H2,1-3H3
InChIKeyLIDARODMXDTRRJ-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)butan-1-one
CID 23295198
1-(4-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340851
1-(3-Fluoro-4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 156077402
1-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-methylpropan-1-one
CID 172144096
1-(1Methylpropylcarbonyl)-2-(hydroxyethyl)-piperidine
CID 15376470
1-Dimethylaminoacetyl-2,5-dimethyl-4-piperidol
CID 129786234
1-(3-Ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 114509983
2-Fluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126973303
2-Fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 130165015
2,2-Difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone
CID 130611442
3,3,3-Trifluoro-1-(4-hydroxy-2-methyl-1-piperidyl)propan-1-one
CID 155895314
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 9815750

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 127011430) is 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(O)CC1C.
What is the InChIKey of 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is LIDARODMXDTRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)10(13)11-5-4-9(12)6-8(11)3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one?
1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 127011430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).