1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol

C15H27NO2 — CID 163158016

IUPAC1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol
SMILESCOC1CCC(C)CC1C(O)=CN1CCCCC1
InChIInChI=1S/C15H27NO2/c1-12-6-7-15(18-2)13(10-12)14(17)11-16-8-4-3-5-9-16/h11-13,15,17H,3-10H2,1-2H3
InChIKeyQQFXVXHXARNURF-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.32
Rot. Bonds3

About 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol

1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol (PubChem CID 163158016) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol
PubChem CID163158016
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol
SMILESCOC1CCC(C)CC1C(O)=CN1CCCCC1
InChIInChI=1S/C15H27NO2/c1-12-6-7-15(18-2)13(10-12)14(17)11-16-8-4-3-5-9-16/h11-13,15,17H,3-10H2,1-2H3
InChIKeyQQFXVXHXARNURF-UHFFFAOYSA-N
XLogP3.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol?
The IUPAC name of 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol (CID 163158016) is 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol.
What is the SMILES notation for 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol?
The canonical SMILES for 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol is COC1CCC(C)CC1C(O)=CN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol?
The InChIKey is QQFXVXHXARNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-6-7-15(18-2)13(10-12)14(17)11-16-8-4-3-5-9-16/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol?
1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol has a molecular weight of 253.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol is sourced from PubChem (CID 163158016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).