1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol

C15H27NO2 — CID 157039421

IUPAC1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC=CC1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-3-5-13(6-4-12)10-16-8-7-15(18)9-14(16)11-17/h2,12-15,17-18H,1,3-11H2
InChIKeyFAUSPMBTDYFJGA-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.80
Rot. Bonds4

About 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol

1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039421) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039421
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC=CC1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-3-5-13(6-4-12)10-16-8-7-15(18)9-14(16)11-17/h2,12-15,17-18H,1,3-11H2
InChIKeyFAUSPMBTDYFJGA-UHFFFAOYSA-N
XLogP1.80
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethenyl-2-(piperidin-1-yl)cyclohexan-1-ol
CID 134159570
(2R,3R,4R,5S)-1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286460
1-[(4-Ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302649
1-[(4-Ethenylcyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155721040
1-[(4-Ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
CID 157039022
1-[(4-Ethenylcyclohexyl)methyl]piperidin-4-ol
CID 157039300
1-[(4-Ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039390
2-(Hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039573
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039421) is 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol is C=CC1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is FAUSPMBTDYFJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-12-3-5-13(6-4-12)10-16-8-7-15(18)9-14(16)11-17/h2,12-15,17-18H,1,3-11H2.
What are the key properties of 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 253.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).