trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

C12H23NO — CID 130892790

IUPACtrans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN([C@H]2CCCC[C@@H]2O)C1C
InChIInChI=1S/C12H23NO/c1-9-7-8-13(10(9)2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyYKXUOCYVKVNKJX-QQFIATSDSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

About trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 130892790) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID130892790
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN([C@H]2CCCC[C@@H]2O)C1C
InChIInChI=1S/C12H23NO/c1-9-7-8-13(10(9)2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyYKXUOCYVKVNKJX-QQFIATSDSA-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

Analyze trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxycyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372128
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
CID 102732321
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
CID 82750366
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
CID 107072062
trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 102732334
2-(2,3-dimethylpiperidin-1-yl)cyclohexan-1-amine
CID 62124610
6-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 79834808
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol (CID 130892790) is trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is CC1CCN([C@H]2CCCC[C@@H]2O)C1C.
What is the InChIKey of trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is YKXUOCYVKVNKJX-QQFIATSDSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-8-13(10(9)2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(2,3-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-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 130892790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).