2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol

C11H21NO — CID 156720193

IUPAC2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol
SMILESC=CN1CCC(CCO)[C@@H](C)[C@H]1C
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-13)9(2)10(12)3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10+,11?/m0/s1
InChIKeyTUHGOWBEIRSGCH-MTULOOOASA-N
MW183.29 g/mol
LogP1.86
Rot. Bonds3

About 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol

2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol (PubChem CID 156720193) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol
PubChem CID156720193
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol
SMILESC=CN1CCC(CCO)[C@@H](C)[C@H]1C
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-13)9(2)10(12)3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10+,11?/m0/s1
InChIKeyTUHGOWBEIRSGCH-MTULOOOASA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-2-(2-hydroxyethyl)pyrrolidin-3-one
CID 123620665
2-[(1S,2S)-2-but-3-enylcyclopropyl]ethanol
CID 11815455
1-ethenyl-2-prop-1-en-2-ylpyrrolidine
CID 155697098
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
CID 142403583
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethanol
CID 58128523
2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
CID 117028490
2-[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]ethanol
CID 6955094
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
CID 117021966
1-ethenyl-2-propylpyrrolidin-3-one
CID 54490098
1-ethenylpiperidin-2-ol
CID 139721082

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol (CID 156720193) is 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol is C=CN1CCC(CCO)[C@@H](C)[C@H]1C.
What is the InChIKey of 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol?
The InChIKey is TUHGOWBEIRSGCH-MTULOOOASA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-13)9(2)10(12)3/h4,9-11,13H,1,5-8H2,2-3H3/t9-,10+,11?/m0/s1.
What are the key properties of 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol?
2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-1-ethenyl-2,3-dimethylpiperidin-4-yl]ethanol is sourced from PubChem (CID 156720193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).