trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

C12H23NO — CID 102732334

IUPACtrans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CC(C)N([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C12H23NO/c1-9-7-10(2)13(8-9)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m1/s1
InChIKeyUKSALYQXJWDBIX-KIDURHIOSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

About trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 102732334) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID102732334
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CC(C)N([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C12H23NO/c1-9-7-10(2)13(8-9)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m1/s1
InChIKeyUKSALYQXJWDBIX-KIDURHIOSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
1-cyclobutyl-2,4-dimethylpyrrolidine
CID 126997653
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 130892790
trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734775
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 45110036
2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol
CID 131093289

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (CID 102732334) is trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is CC1CC(C)N([C@@H]2CCCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is UKSALYQXJWDBIX-KIDURHIOSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-10(2)13(8-9)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102732334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).