1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol

C15H27NO3 — CID 155721040

IUPAC1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
SMILESC=CC1CCC(CN2CC(O)C(O)C(O)C2C)CC1
InChIInChI=1S/C15H27NO3/c1-3-11-4-6-12(7-5-11)8-16-9-13(17)15(19)14(18)10(16)2/h3,10-15,17-19H,1,4-9H2,2H3
InChIKeyLWXVMAOBOYVCTE-UHFFFAOYSA-N
MW269.38 g/mol
LogP0.77
Rot. Bonds3

About 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol

1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol (PubChem CID 155721040) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
PubChem CID155721040
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
SMILESC=CC1CCC(CN2CC(O)C(O)C(O)C2C)CC1
InChIInChI=1S/C15H27NO3/c1-3-11-4-6-12(7-5-11)8-16-9-13(17)15(19)14(18)10(16)2/h3,10-15,17-19H,1,4-9H2,2H3
InChIKeyLWXVMAOBOYVCTE-UHFFFAOYSA-N
XLogP0.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286460
(2R,3R,4R,5S)-1-(cyclohexylmethyl)-2-methylpiperidine-3,4,5-triol
CID 155286593
1-[(4-Ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302649
1-[(4-Ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
CID 157039022
1-[(4-Ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039390
1-[(4-Ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039421
(3S,6R)-1-[(4-ethenylcyclohexyl)methyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039781
(2R,3R,4R,5S)-1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 166828358
(2S,3R,4R,5S)-1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 166828361
(3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
CID 166834250
(2S,3S,4S,5S)-1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 168152294
(2S,3R,4R)-1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 169721166

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol (CID 155721040) is 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol.
What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The canonical SMILES for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol is C=CC1CCC(CN2CC(O)C(O)C(O)C2C)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The InChIKey is LWXVMAOBOYVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-11-4-6-12(7-5-11)8-16-9-13(17)15(19)14(18)10(16)2/h3,10-15,17-19H,1,4-9H2,2H3.
What are the key properties of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol has a molecular weight of 269.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 155721040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).