trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol

C11H15NO — CID 67133890

IUPACtrans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
SMILESO[C@@H]1CCC[C@@H](c2cccnc2)C1
InChIInChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6,8-9,11,13H,1,3,5,7H2/t9-,11-/m1/s1
InChIKeyJYRJYFOQLCGSTG-MWLCHTKSSA-N
MW177.25 g/mol
LogP2.10
Rot. Bonds1

About trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol

trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol (PubChem CID 67133890) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
PubChem CID67133890
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nametrans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
SMILESO[C@@H]1CCC[C@@H](c2cccnc2)C1
InChIInChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6,8-9,11,13H,1,3,5,7H2/t9-,11-/m1/s1
InChIKeyJYRJYFOQLCGSTG-MWLCHTKSSA-N
XLogP2.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
3-(5-fluoro-3-pyridinyl)cyclohexan-1-ol
CID 64513217
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
4-pyridin-3-ylazepane
CID 83262248
3-pyrrolidin-3-ylpyridine
CID 3613651
(2R)-4-methyl-2-[[[(1S,3S)-3-pyridin-3-ylcyclohexyl]amino]methyl]pentanoic acid
CID 129469330
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
3-quinolin-7-ylcycloheptan-1-ol
CID 81221392
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
cis-(2S,4S)-2-acetyl-4-pyridin-3-ylcyclohexan-1-one
CID 129387672

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol (CID 67133890) is trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol is O[C@@H]1CCC[C@@H](c2cccnc2)C1.
What is the InChIKey of trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol?
The InChIKey is JYRJYFOQLCGSTG-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6,8-9,11,13H,1,3,5,7H2/t9-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol?
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 67133890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).