3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol

C14H21FN2O2 — CID 107270608

IUPAC3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol
SMILESCCC(NCC1(O)CCOC1C)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18)6-7-19-10(14)2/h4-5,8,10,12,17-18H,3,6-7,9H2,1-2H3
InChIKeyGQQFBZLWUYEBHZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.80
Rot. Bonds5

About 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270608) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270608
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol
SMILESCCC(NCC1(O)CCOC1C)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18)6-7-19-10(14)2/h4-5,8,10,12,17-18H,3,6-7,9H2,1-2H3
InChIKeyGQQFBZLWUYEBHZ-UHFFFAOYSA-N
XLogP1.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol (CID 107270608) is 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol is CCC(NCC1(O)CCOC1C)c1ccc(F)cn1.
What is the InChIKey of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is GQQFBZLWUYEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18)6-7-19-10(14)2/h4-5,8,10,12,17-18H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 268.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).