1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol

C12H23NO — CID 157088720

IUPAC1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol
SMILESC=C(O)C1(C)CCCCN1CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)9-13-8-6-5-7-12(13,4)11(3)14/h10,14H,3,5-9H2,1-2,4H3
InChIKeyLIWACUVGUYPGCA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.96
Rot. Bonds3

About 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol

1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol (PubChem CID 157088720) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol
PubChem CID157088720
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol
SMILESC=C(O)C1(C)CCCCN1CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)9-13-8-6-5-7-12(13,4)11(3)14/h10,14H,3,5-9H2,1-2,4H3
InChIKeyLIWACUVGUYPGCA-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methylpiperidin-2-yl)ethenol
CID 76831448
1-[(7R)-6-methyl-6-azaspiro[2.5]octan-7-yl]ethenol
CID 156745155
1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol
CID 166696195
1-(2-Methylpiperidin-2-yl)ethenol
CID 166907407
1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
CID 170290439
1-[(2S)-1-methylpiperidin-2-yl]ethenol
CID 178103114

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol?
The IUPAC name of 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol (CID 157088720) is 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol.
What is the SMILES notation for 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol?
The canonical SMILES for 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol is C=C(O)C1(C)CCCCN1CC(C)C.
What is the InChIKey of 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol?
The InChIKey is LIWACUVGUYPGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-13-8-6-5-7-12(13,4)11(3)14/h10,14H,3,5-9H2,1-2,4H3.
What are the key properties of 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol?
1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol has a molecular weight of 197.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol is sourced from PubChem (CID 157088720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).