4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol

C13H20N2O2 — CID 113269052

IUPAC4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
SMILESCN(Cc1ccncc1)CC1(O)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-15(10-12-2-6-14-7-3-12)11-13(16)4-8-17-9-5-13/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyXBTOMTVCCGIYKQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.05
Rot. Bonds4

About 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol (PubChem CID 113269052) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
PubChem CID113269052
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
SMILESCN(Cc1ccncc1)CC1(O)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-15(10-12-2-6-14-7-3-12)11-13(16)4-8-17-9-5-13/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyXBTOMTVCCGIYKQ-UHFFFAOYSA-N
XLogP1.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277927
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol (CID 113269052) is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol is CN(Cc1ccncc1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The InChIKey is XBTOMTVCCGIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(10-12-2-6-14-7-3-12)11-13(16)4-8-17-9-5-13/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 113269052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).