(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol

C13H23NO — CID 102259879

IUPAC(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1
InChIInChI=1S/C13H23NO/c1-2-11-8-12(15)9-13(14-11)10-6-4-3-5-7-10/h2,10-15H,1,3-9H2/t11-,12+,13-/m0/s1
InChIKeyBMXGSJXJVSVGST-XQQFMLRXSA-N
MW209.33 g/mol
LogP2.23
Rot. Bonds2

About (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol

(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol (PubChem CID 102259879) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol
PubChem CID102259879
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1
InChIInChI=1S/C13H23NO/c1-2-11-8-12(15)9-13(14-11)10-6-4-3-5-7-10/h2,10-15H,1,3-9H2/t11-,12+,13-/m0/s1
InChIKeyBMXGSJXJVSVGST-XQQFMLRXSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Spiro[cyclohexanol-5,6'-hexahydropyridine], 2'-[4-pentenyl]-
CID 606637
2-Hydroxyethyl-2-azaspiro-[5.5]-undec-7-ene
CID 20403159
(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
(2S)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367382
1-Amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367392
1-Cyclohexyl-2-piperidin-2-ylethanol
CID 105465462
3-But-3-enylpiperidin-4-ol
CID 114451881
3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol
CID 122500309
(3S)-2,3-bis(ethenyl)-6-methylpiperidin-4-ol
CID 141979418
2-Butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
CID 155323889

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol?
The IUPAC name of (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol (CID 102259879) is (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol?
The canonical SMILES for (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol is C=C[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1.
What is the InChIKey of (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol?
The InChIKey is BMXGSJXJVSVGST-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-11-8-12(15)9-13(14-11)10-6-4-3-5-7-10/h2,10-15H,1,3-9H2/t11-,12+,13-/m0/s1.
What are the key properties of (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol?
(2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-cyclohexyl-6-ethenylpiperidin-4-ol is sourced from PubChem (CID 102259879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).