(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol

C14H18F3NO — CID 105110904

IUPAC(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1ccncc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3NO/c1-9-6-7-18-8-12(9)13(19)10-2-4-11(5-3-10)14(15,16)17/h6-8,10-11,13,19H,2-5H2,1H3
InChIKeyGPTYMZWNNYMSJG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.79
Rot. Bonds2

About (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol

(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105110904) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105110904
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1ccncc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3NO/c1-9-6-7-18-8-12(9)13(19)10-2-4-11(5-3-10)14(15,16)17/h6-8,10-11,13,19H,2-5H2,1H3
InChIKeyGPTYMZWNNYMSJG-UHFFFAOYSA-N
XLogP3.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
[(4-tert-butylcyclohexyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105232736
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105110904) is (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol is Cc1ccncc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is GPTYMZWNNYMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-6-7-18-8-12(9)13(19)10-2-4-11(5-3-10)14(15,16)17/h6-8,10-11,13,19H,2-5H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 273.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105110904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).