(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol

C13H25NO2 — CID 171579193

IUPAC(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol
SMILESCOC1CC(N2CCCC2)C(C)CC1CO
InChIInChI=1S/C13H25NO2/c1-10-7-11(9-15)13(16-2)8-12(10)14-5-3-4-6-14/h10-13,15H,3-9H2,1-2H3
InChIKeyNLPMHENUVDSOBP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds3

About (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol

(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol (PubChem CID 171579193) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol
PubChem CID171579193
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol
SMILESCOC1CC(N2CCCC2)C(C)CC1CO
InChIInChI=1S/C13H25NO2/c1-10-7-11(9-15)13(16-2)8-12(10)14-5-3-4-6-14/h10-13,15H,3-9H2,1-2H3
InChIKeyNLPMHENUVDSOBP-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-Hydroxy-bicyclo[3.3.1]non-2-yl)-1-methyl-pyrrolidinium
CID 12004735
3,7-Dimethyl-6-(1-pyrrolidinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 36912
2-Pyrrolidin-1-yl-bicyclo[3.3.1]nonan-9-ol
CID 573545
2-(Methylpyrrolidinyl)bicyclo[3.2.1]octan-8-ol
CID 3148890
4-(1-Methyl-1-pyrrolidin-1-iumyl)-9-bicyclo[3.3.1]nonanol
CID 3148891
5-[Ethyl(methyl)amino]-2-methylcyclohexan-1-ol
CID 141768656
(2-Methoxy-4-pyrrolidin-1-ylcyclohexyl)methanol
CID 162468757
(1S,2R,5R,8R)-2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
CID 770798
(1S,2R,5R,9R)-2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
CID 770802
(1R,2S,5S,8S)-2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
CID 906574
(1R,2R,5S,8S)-2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
CID 906575
(1R,2R,5R,8S)-2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
CID 6941423

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol?
The IUPAC name of (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol (CID 171579193) is (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol.
What is the SMILES notation for (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol?
The canonical SMILES for (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol is COC1CC(N2CCCC2)C(C)CC1CO.
What is the InChIKey of (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol?
The InChIKey is NLPMHENUVDSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-7-11(9-15)13(16-2)8-12(10)14-5-3-4-6-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol?
(2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol has a molecular weight of 227.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-4-pyrrolidin-1-ylcyclohexyl)methanol is sourced from PubChem (CID 171579193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).