3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H22FN3O — CID 83126594

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCN(C)C1CCN(CCC(O)c2ccc(F)cn2)C1
InChIInChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)8-6-14(19)13-4-3-11(15)9-16-13/h3-4,9,12,14,19H,5-8,10H2,1-2H3
InChIKeyZNOVUZRRECKNGZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.28
Rot. Bonds5

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83126594) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83126594
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCN(C)C1CCN(CCC(O)c2ccc(F)cn2)C1
InChIInChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)8-6-14(19)13-4-3-11(15)9-16-13/h3-4,9,12,14,19H,5-8,10H2,1-2H3
InChIKeyZNOVUZRRECKNGZ-UHFFFAOYSA-N
XLogP1.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128488
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128589
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126033
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837883
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886648
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539032
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83126594) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CN(C)C1CCN(CCC(O)c2ccc(F)cn2)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is ZNOVUZRRECKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-17(2)12-5-7-18(10-12)8-6-14(19)13-4-3-11(15)9-16-13/h3-4,9,12,14,19H,5-8,10H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 267.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83126594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).