1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol

C15H23FN2O2 — CID 115941592

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
SMILESCC1CN(CC(C)C(O)c2ccc(F)cn2)CCCO1
InChIInChI=1S/C15H23FN2O2/c1-11(9-18-6-3-7-20-12(2)10-18)15(19)14-5-4-13(16)8-17-14/h4-5,8,11-12,15,19H,3,6-7,9-10H2,1-2H3
InChIKeyXDOFHTJMWYSPTO-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.00
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol (PubChem CID 115941592) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
PubChem CID115941592
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
SMILESCC1CN(CC(C)C(O)c2ccc(F)cn2)CCCO1
InChIInChI=1S/C15H23FN2O2/c1-11(9-18-6-3-7-20-12(2)10-18)15(19)14-5-4-13(16)8-17-14/h4-5,8,11-12,15,19H,3,6-7,9-10H2,1-2H3
InChIKeyXDOFHTJMWYSPTO-UHFFFAOYSA-N
XLogP2.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886634
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol (CID 115941592) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol is CC1CN(CC(C)C(O)c2ccc(F)cn2)CCCO1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol?
The InChIKey is XDOFHTJMWYSPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(9-18-6-3-7-20-12(2)10-18)15(19)14-5-4-13(16)8-17-14/h4-5,8,11-12,15,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 2.00, 4 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)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol is sourced from PubChem (CID 115941592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).