1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol

C15H23FN2O2 — CID 83126451

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cn1)CC1CCOCC1
InChIInChI=1S/C15H23FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12,15,19H,4-9,11H2,1H3
InChIKeyNQNOPLPJQZYZRR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.00
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol (PubChem CID 83126451) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
PubChem CID83126451
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cn1)CC1CCOCC1
InChIInChI=1S/C15H23FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12,15,19H,4-9,11H2,1H3
InChIKeyNQNOPLPJQZYZRR-UHFFFAOYSA-N
XLogP2.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 83111329
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 79723580
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol (CID 83126451) is 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol is CN(CCC(O)c1ccc(F)cn1)CC1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The InChIKey is NQNOPLPJQZYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12,15,19H,4-9,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 83126451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).