1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol

C16H26FN3O — CID 106837883

IUPAC1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
SMILESCNC(CCN1CCC(C(C)O)CC1)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-12(21)13-5-8-20(9-6-13)10-7-15(18-2)16-4-3-14(17)11-19-16/h3-4,11-13,15,18,21H,5-10H2,1-2H3
InChIKeyALCPAQWAXSVKLJ-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.96
Rot. Bonds6

About 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol

1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol (PubChem CID 106837883) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
PubChem CID106837883
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
SMILESCNC(CCN1CCC(C(C)O)CC1)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-12(21)13-5-8-20(9-6-13)10-7-15(18-2)16-4-3-14(17)11-19-16/h3-4,11-13,15,18,21H,5-10H2,1-2H3
InChIKeyALCPAQWAXSVKLJ-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-N-methylpropan-1-amine
CID 83111511
1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539032
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 83126435
2-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-2-yl]ethanol
CID 83110527
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
1-(5-fluoro-2-pyridinyl)-N-methyl-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 83126206
[1-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]pyrrolidin-2-yl]methanol
CID 83126571
1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine
CID 115938621
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126594
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol (CID 106837883) is 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol is CNC(CCN1CCC(C(C)O)CC1)c1ccc(F)cn1.
What is the InChIKey of 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The InChIKey is ALCPAQWAXSVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(21)13-5-8-20(9-6-13)10-7-15(18-2)16-4-3-14(17)11-19-16/h3-4,11-13,15,18,21H,5-10H2,1-2H3.
What are the key properties of 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol?
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol has a molecular weight of 295.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).