2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol

C13H25NO2 — CID 102966101

IUPAC2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
SMILESCOC1CCCN(C2CC(C)CCC2O)C1
InChIInChI=1S/C13H25NO2/c1-10-5-6-13(15)12(8-10)14-7-3-4-11(9-14)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyYJNKNNUICGCMIS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds2

About 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol

2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol (PubChem CID 102966101) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
PubChem CID102966101
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
SMILESCOC1CCCN(C2CC(C)CCC2O)C1
InChIInChI=1S/C13H25NO2/c1-10-5-6-13(15)12(8-10)14-7-3-4-11(9-14)16-2/h10-13,15H,3-9H2,1-2H3
InChIKeyYJNKNNUICGCMIS-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol (CID 102966101) is 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol is COC1CCCN(C2CC(C)CCC2O)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol?
The InChIKey is YJNKNNUICGCMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-6-13(15)12(8-10)14-7-3-4-11(9-14)16-2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol?
2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 102966101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).