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

C14H22FN3O2 — CID 83126729

IUPAC[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O2/c1-10-9-20-12(8-19)7-18(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
InChIKeyNTLPYJWZMFUBLC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.69
Rot. Bonds5

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

[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 83126729) 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]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol
PubChem CID83126729
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O2/c1-10-9-20-12(8-19)7-18(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
InChIKeyNTLPYJWZMFUBLC-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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Related Compounds

3-(2,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126303
[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol
CID 81213258
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
CID 83126773
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 81212826
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 83125999

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol (CID 83126729) is [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CCC(N)c1ccc(F)cn1.
What is the InChIKey of [4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is NTLPYJWZMFUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-10-9-20-12(8-19)7-18(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]-5-methylmorpholin-2-yl]methanol?
[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-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]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 83126729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).