3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol

C12H17FN2O — CID 102809827

IUPAC3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cncc(F)c1)CC1CC(O)C1
InChIInChI=1S/C12H17FN2O/c1-15(7-9-3-12(16)4-9)8-10-2-11(13)6-14-5-10/h2,5-6,9,12,16H,3-4,7-8H2,1H3
InChIKeyORZSZRZYRVIUQI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds4

About 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol

3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol (PubChem CID 102809827) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
PubChem CID102809827
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1cncc(F)c1)CC1CC(O)C1
InChIInChI=1S/C12H17FN2O/c1-15(7-9-3-12(16)4-9)8-10-2-11(13)6-14-5-10/h2,5-6,9,12,16H,3-4,7-8H2,1H3
InChIKeyORZSZRZYRVIUQI-UHFFFAOYSA-N
XLogP1.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 162646729
(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol
CID 10355120
(2S,5E,8E,10E)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
CID 10355123
1-(Pyridin-3-ylmethyl)piperidin-3-ol
CID 3844105
1-(3-Pyridinylmethyl)-4-piperidinol
CID 4372024
(2S,3S)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol
CID 129349342
2-(5-Fluoropyridin-3-yl)prop-2-en-1-ol
CID 165761897
(R)-1-cyclopropyl-2-{4-[(3-pyridyl)methyl]-1-piperazinyl}-1-ethanol
CID 97038989
(1-{[Methyl(pyridin-3-ylmethyl)amino]methyl}cyclopropyl)methanol
CID 50961070
2-Methyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]propane-1,3-diol
CID 71683196
2-[1-(Pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol
CID 71999794
1-[1-[[1-(5-Fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445050

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol (CID 102809827) is 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol is CN(Cc1cncc(F)c1)CC1CC(O)C1.
What is the InChIKey of 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ORZSZRZYRVIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(7-9-3-12(16)4-9)8-10-2-11(13)6-14-5-10/h2,5-6,9,12,16H,3-4,7-8H2,1H3.
What are the key properties of 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol?
3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-3-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 102809827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).