1-[(2S)-1-methylpiperidin-2-yl]ethenol

C8H15NO — CID 178103114

IUPAC1-[(2S)-1-methylpiperidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CCCCN1C
InChIInChI=1S/C8H15NO/c1-7(10)8-5-3-4-6-9(8)2/h8,10H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyZDQXBZBQYZUYJW-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.54
Rot. Bonds1

About 1-[(2S)-1-methylpiperidin-2-yl]ethenol

1-[(2S)-1-methylpiperidin-2-yl]ethenol (PubChem CID 178103114) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2S)-1-methylpiperidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[(2S)-1-methylpiperidin-2-yl]ethenol
PubChem CID178103114
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2S)-1-methylpiperidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CCCCN1C
InChIInChI=1S/C8H15NO/c1-7(10)8-5-3-4-6-9(8)2/h8,10H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyZDQXBZBQYZUYJW-QMMMGPOBSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.54
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
(2S)-2-(1-methoxyethenyl)-1-methylpiperidine
CID 89849837
1-[(2R)-piperidin-2-yl]ethenol
CID 129030574
2-(1-Methoxyethenyl)-1-methylpiperidine
CID 144006979
4,6,7,8,9,9a-hexahydro-3H-quinolizin-1-ol
CID 149262087
3-[Methyl(2-methylpropyl)amino]oct-1-en-2-ol
CID 156794666
1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
CID 170290439
(1-But-3-en-2-ylpiperidin-2-yl)methanol
CID 61517475
[1-(2-Methylidenebutyl)piperidin-2-yl]methanol
CID 66038063
6-(Dimethylamino)cyclohexen-1-ol
CID 134905460
1-[2-Methyl-1-(2-methylpropyl)piperidin-2-yl]ethenol
CID 157088720
(1-Methyl-5-methylidenepiperidin-2-yl)methanol
CID 176568267

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]ethenol?
The IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]ethenol (CID 178103114) is 1-[(2S)-1-methylpiperidin-2-yl]ethenol.
What is the SMILES notation for 1-[(2S)-1-methylpiperidin-2-yl]ethenol?
The canonical SMILES for 1-[(2S)-1-methylpiperidin-2-yl]ethenol is C=C(O)[C@@H]1CCCCN1C.
What is the InChIKey of 1-[(2S)-1-methylpiperidin-2-yl]ethenol?
The InChIKey is ZDQXBZBQYZUYJW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)8-5-3-4-6-9(8)2/h8,10H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpiperidin-2-yl]ethenol?
1-[(2S)-1-methylpiperidin-2-yl]ethenol has a molecular weight of 141.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpiperidin-2-yl]ethenol is sourced from PubChem (CID 178103114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).