3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol

C13H25NO2 — CID 102966053

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol
SMILESCOC1CN(C2CCCC(O)C2)CCC1C
InChIInChI=1S/C13H25NO2/c1-10-6-7-14(9-13(10)16-2)11-4-3-5-12(15)8-11/h10-13,15H,3-9H2,1-2H3
InChIKeyXMTGVIMUWWWENS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds2

About 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol

3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 102966053) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID102966053
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol
SMILESCOC1CN(C2CCCC(O)C2)CCC1C
InChIInChI=1S/C13H25NO2/c1-10-6-7-14(9-13(10)16-2)11-4-3-5-12(15)8-11/h10-13,15H,3-9H2,1-2H3
InChIKeyXMTGVIMUWWWENS-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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Related Compounds

4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 29254865
3-[(2-Fluoroethyl)(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol
CID 165498252
3-Morpholin-4-ylcyclohexan-1-ol
CID 58205562
1-Ethyl-5-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-3-ol
CID 132245364
2-(3-Methylpiperidin-1-yl)cyclohexane-1,4-diol
CID 140812074
ethane;(1S)-4-methyl-3-morpholin-4-ylcyclohexan-1-ol;propane
CID 142087291
4,5-Bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol
CID 146709504
(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286562
1-[(4-Methoxycyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302698
6-(2-Methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol
CID 156546325
2-(Hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol
CID 157039755
[(2S)-1-[(4-methoxycyclohexyl)methyl]piperidin-2-yl]methanol
CID 169926806

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol (CID 102966053) is 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol is COC1CN(C2CCCC(O)C2)CCC1C.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is XMTGVIMUWWWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-6-7-14(9-13(10)16-2)11-4-3-5-12(15)8-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol?
3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-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 3-(3-methoxy-4-methylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102966053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).