trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol

C11H21NO2 — CID 103536869

IUPACtrans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
SMILESCOC1CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-14-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyAHBZPAFPTNBKFO-FHZGLPGMSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 103536869) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID103536869
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
SMILESCOC1CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-14-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyAHBZPAFPTNBKFO-FHZGLPGMSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
CID 122235780
3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
CID 103537640
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
CID 102732321
trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
CID 102732019
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732127
2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 59422481
(1R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
CID 126658683
2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 102966101
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
CID 63165145

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol (CID 103536869) is trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol is COC1CCN([C@@H]2CCCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is AHBZPAFPTNBKFO-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 103536869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).