(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol

C12H17NO2 — CID 66272876

IUPAC(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
SMILESCc1ccncc1C(O)C1CCOCC1
InChIInChI=1S/C12H17NO2/c1-9-2-5-13-8-11(9)12(14)10-3-6-15-7-4-10/h2,5,8,10,12,14H,3-4,6-7H2,1H3
InChIKeyMDYJPZJKRISYNA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol

(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol (PubChem CID 66272876) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
PubChem CID66272876
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
SMILESCc1ccncc1C(O)C1CCOCC1
InChIInChI=1S/C12H17NO2/c1-9-2-5-13-8-11(9)12(14)10-3-6-15-7-4-10/h2,5,8,10,12,14H,3-4,6-7H2,1H3
InChIKeyMDYJPZJKRISYNA-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
CID 115797622
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol?
The IUPAC name of (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol (CID 66272876) is (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol is Cc1ccncc1C(O)C1CCOCC1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol?
The InChIKey is MDYJPZJKRISYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-5-13-8-11(9)12(14)10-3-6-15-7-4-10/h2,5,8,10,12,14H,3-4,6-7H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol?
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 66272876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).