1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one

C10H17NO2 — CID 177023304

IUPAC1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(C)CCCC1CO
InChIInChI=1S/C10H17NO2/c1-3-10(13)11-8(2)5-4-6-9(11)7-12/h3,8-9,12H,1,4-7H2,2H3
InChIKeyLORTUHZOOGSHMR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds2

About 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one

1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one (PubChem CID 177023304) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one
PubChem CID177023304
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(C)CCCC1CO
InChIInChI=1S/C10H17NO2/c1-3-10(13)11-8(2)5-4-6-9(11)7-12/h3,8-9,12H,1,4-7H2,2H3
InChIKeyLORTUHZOOGSHMR-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,6S)-2-(hydroxymethyl)-4-methyl-6-prop-2-enylpiperidin-1-yl]prop-2-en-1-one
CID 134941193
1-[2-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 139015346
1-[3-Fluoro-6-(hydroxymethyl)-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 177023759
N-(6-hydroxyhexyl)-N-methylprop-2-enamide
CID 54392964
N-(11-hydroxy-undecyl)-N-methyl acrylamide
CID 86680882
1-[2-(2-Ethoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 117730655
1-[2-(Methoxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 117733524
6-Hydroxyhexyl-dimethyl-prop-2-enoylazanium
CID 123271183
N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide
CID 135122860
N-(1-hydroxyundecan-2-yl)prop-2-enamide
CID 140340924
3-Hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]but-2-en-1-one
CID 140606165
1-[2-(2-Hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 17760955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one (CID 177023304) is 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1C(C)CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one?
The InChIKey is LORTUHZOOGSHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(13)11-8(2)5-4-6-9(11)7-12/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one?
1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 177023304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).