1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol

C15H27NO — CID 155302649

IUPAC1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESC=CC1CCC(CN2CCC(O)CC2C)CC1
InChIInChI=1S/C15H27NO/c1-3-13-4-6-14(7-5-13)11-16-9-8-15(17)10-12(16)2/h3,12-15,17H,1,4-11H2,2H3
InChIKeyQNVGJCIUAHMOHP-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.82
Rot. Bonds3

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

1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol (PubChem CID 155302649) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
PubChem CID155302649
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESC=CC1CCC(CN2CCC(O)CC2C)CC1
InChIInChI=1S/C15H27NO/c1-3-13-4-6-14(7-5-13)11-16-9-8-15(17)10-12(16)2/h3,12-15,17H,1,4-11H2,2H3
InChIKeyQNVGJCIUAHMOHP-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol (CID 155302649) is 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol is C=CC1CCC(CN2CCC(O)CC2C)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The InChIKey is QNVGJCIUAHMOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-13-4-6-14(7-5-13)11-16-9-8-15(17)10-12(16)2/h3,12-15,17H,1,4-11H2,2H3.
What are the key properties of 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol has a molecular weight of 237.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).