2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol

C13H25NO3 — CID 171538548

IUPAC2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol
SMILESCOC1CCCN(C2CC(O)CC(C)C2O)C1
InChIInChI=1S/C13H25NO3/c1-9-6-10(15)7-12(13(9)16)14-5-3-4-11(8-14)17-2/h9-13,15-16H,3-8H2,1-2H3
InChIKeyOVAZIZFMRZCWBZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.62
Rot. Bonds2

About 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol

2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol (PubChem CID 171538548) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol
PubChem CID171538548
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol
SMILESCOC1CCCN(C2CC(O)CC(C)C2O)C1
InChIInChI=1S/C13H25NO3/c1-9-6-10(15)7-12(13(9)16)14-5-3-4-11(8-14)17-2/h9-13,15-16H,3-8H2,1-2H3
InChIKeyOVAZIZFMRZCWBZ-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethoxy-4-ethyl-7-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 140426139
4-(2,5-Diethoxy-4-methylcyclohexyl)morpholine
CID 140426149
2-(3-Methylpiperidin-1-yl)cyclohexane-1,4-diol
CID 140812074
(2,5-Dimethoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
CID 162468760
3-(3-Methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol
CID 102966053
6-[3-(Methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclohexan-1-ol
CID 113853721

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol (CID 171538548) is 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol is COC1CCCN(C2CC(O)CC(C)C2O)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol?
The InChIKey is OVAZIZFMRZCWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9-6-10(15)7-12(13(9)16)14-5-3-4-11(8-14)17-2/h9-13,15-16H,3-8H2,1-2H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol?
2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol has a molecular weight of 243.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol is sourced from PubChem (CID 171538548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).