trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol

C12H17NO — CID 102018395

IUPACtrans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol
SMILESCc1ccnc([C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C12H17NO/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14/h6-8,10,12,14H,2-5H2,1H3/t10-,12+/m1/s1
InChIKeyBOPMYBNLJVAWAR-PWSUYJOCSA-N
MW191.27 g/mol
LogP2.41
Rot. Bonds1

About trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol

trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol (PubChem CID 102018395) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol
PubChem CID102018395
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol
SMILESCc1ccnc([C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C12H17NO/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14/h6-8,10,12,14H,2-5H2,1H3/t10-,12+/m1/s1
InChIKeyBOPMYBNLJVAWAR-PWSUYJOCSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol (CID 102018395) is trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol is Cc1ccnc([C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol?
The InChIKey is BOPMYBNLJVAWAR-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14/h6-8,10,12,14H,2-5H2,1H3/t10-,12+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol?
trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 102018395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).