cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol

C12H17NO — CID 97036881

IUPACcis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
SMILESCc1ccc([C@H]2CCCC[C@H]2O)nc1
InChIInChI=1S/C12H17NO/c1-9-6-7-11(13-8-9)10-4-2-3-5-12(10)14/h6-8,10,12,14H,2-5H2,1H3/t10-,12-/m1/s1
InChIKeySTHBATOZMFFLHB-ZYHUDNBSSA-N
MW191.27 g/mol
LogP2.41
Rot. Bonds1

About cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol

cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol (PubChem CID 97036881) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
PubChem CID97036881
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namecis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
SMILESCc1ccc([C@H]2CCCC[C@H]2O)nc1
InChIInChI=1S/C12H17NO/c1-9-6-7-11(13-8-9)10-4-2-3-5-12(10)14/h6-8,10,12,14H,2-5H2,1H3/t10-,12-/m1/s1
InChIKeySTHBATOZMFFLHB-ZYHUDNBSSA-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 cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol (CID 97036881) is cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol is Cc1ccc([C@H]2CCCC[C@H]2O)nc1.
What is the InChIKey of cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol?
The InChIKey is STHBATOZMFFLHB-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-11(13-8-9)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 cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol?
cis-(1R,2R)-2-(5-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 cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 97036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).