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

C12H18N2O2 — CID 114952312

IUPAC4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-14(11-2-6-13-7-3-11)10-12(15)4-8-16-9-5-12/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeySTOOMEZKTICNIM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds3

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

4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 114952312) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
PubChem CID114952312
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-14(11-2-6-13-7-3-11)10-12(15)4-8-16-9-5-12/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeySTOOMEZKTICNIM-UHFFFAOYSA-N
XLogP1.06
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 114949903
4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 104985437
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylbenzoic acid
CID 114949896
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol (CID 114952312) is 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1ccncc1.
What is the InChIKey of 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is STOOMEZKTICNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(11-2-6-13-7-3-11)10-12(15)4-8-16-9-5-12/h2-3,6-7,15H,4-5,8-10H2,1H3.
What are the key properties of 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol?
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 222.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).