(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol

C16H25NO — CID 107502825

IUPAC(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)C2CCC(C)C(C)C2)cc(C)n1
InChIInChI=1S/C16H25NO/c1-10-5-6-14(7-11(10)2)16(18)15-8-12(3)17-13(4)9-15/h8-11,14,16,18H,5-7H2,1-4H3
InChIKeyDRFAHAFUBAEUOR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol

(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol (PubChem CID 107502825) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
PubChem CID107502825
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)C2CCC(C)C(C)C2)cc(C)n1
InChIInChI=1S/C16H25NO/c1-10-5-6-14(7-11(10)2)16(18)15-8-12(3)17-13(4)9-15/h8-11,14,16,18H,5-7H2,1-4H3
InChIKeyDRFAHAFUBAEUOR-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol (CID 107502825) is (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol is Cc1cc(C(O)C2CCC(C)C(C)C2)cc(C)n1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol?
The InChIKey is DRFAHAFUBAEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-5-6-14(7-11(10)2)16(18)15-8-12(3)17-13(4)9-15/h8-11,14,16,18H,5-7H2,1-4H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol?
(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol is sourced from PubChem (CID 107502825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).