3-[(4-methylcyclohexyl)oxymethyl]pyridine

C13H19NO — CID 142207375

IUPAC3-[(4-methylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C13H19NO/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-3,8-9,11,13H,4-7,10H2,1H3
InChIKeyUVHWWMMNWDVHCA-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.18
Rot. Bonds3

About 3-[(4-methylcyclohexyl)oxymethyl]pyridine

3-[(4-methylcyclohexyl)oxymethyl]pyridine (PubChem CID 142207375) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)oxymethyl]pyridine
PubChem CID142207375
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(4-methylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C13H19NO/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-3,8-9,11,13H,4-7,10H2,1H3
InChIKeyUVHWWMMNWDVHCA-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935
(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
CID 129269369
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
CID 166834841
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677285
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[(3aS,4R,5R,6S,7S,7aR)-6,7-dihydroxy-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 162628082

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)oxymethyl]pyridine?
The IUPAC name of 3-[(4-methylcyclohexyl)oxymethyl]pyridine (CID 142207375) is 3-[(4-methylcyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 3-[(4-methylcyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 3-[(4-methylcyclohexyl)oxymethyl]pyridine is CC1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)oxymethyl]pyridine?
The InChIKey is UVHWWMMNWDVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-3,8-9,11,13H,4-7,10H2,1H3.
What are the key properties of 3-[(4-methylcyclohexyl)oxymethyl]pyridine?
3-[(4-methylcyclohexyl)oxymethyl]pyridine has a molecular weight of 205.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 142207375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).