[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol

C14H22FN3O2 — CID 102936373

IUPAC[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCC(N)c2ccc(F)cn2)CC(CO)O1
InChIInChI=1S/C14H22FN3O2/c1-10-7-18(8-12(9-19)20-10)5-4-13(16)14-3-2-11(15)6-17-14/h2-3,6,10,12-13,19H,4-5,7-9,16H2,1H3
InChIKeyHDPFPDVGXPHKLT-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.69
Rot. Bonds5

About [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol

[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102936373) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102936373
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCC(N)c2ccc(F)cn2)CC(CO)O1
InChIInChI=1S/C14H22FN3O2/c1-10-7-18(8-12(9-19)20-10)5-4-13(16)14-3-2-11(15)6-17-14/h2-3,6,10,12-13,19H,4-5,7-9,16H2,1H3
InChIKeyHDPFPDVGXPHKLT-UHFFFAOYSA-N
XLogP0.69
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol (CID 102936373) is [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol is CC1CN(CCC(N)c2ccc(F)cn2)CC(CO)O1.
What is the InChIKey of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is HDPFPDVGXPHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-10-7-18(8-12(9-19)20-10)5-4-13(16)14-3-2-11(15)6-17-14/h2-3,6,10,12-13,19H,4-5,7-9,16H2,1H3.
What are the key properties of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol?
[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 283.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102936373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).