3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C15H24FN3O — CID 83128488

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(F)cn2)CC1N(C)C
InChIInChI=1S/C15H24FN3O/c1-11-9-19(10-14(11)18(2)3)7-6-15(20)13-5-4-12(16)8-17-13/h4-5,8,11,14-15,20H,6-7,9-10H2,1-3H3
InChIKeyLTFAWFHHAHUZFE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.53
Rot. Bonds5

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83128488) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83128488
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(F)cn2)CC1N(C)C
InChIInChI=1S/C15H24FN3O/c1-11-9-19(10-14(11)18(2)3)7-6-15(20)13-5-4-12(16)8-17-13/h4-5,8,11,14-15,20H,6-7,9-10H2,1-3H3
InChIKeyLTFAWFHHAHUZFE-UHFFFAOYSA-N
XLogP1.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128589
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126594
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886648
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126033
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
CID 81474587
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
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 83126435
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83128488) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CC1CN(CCC(O)c2ccc(F)cn2)CC1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is LTFAWFHHAHUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11-9-19(10-14(11)18(2)3)7-6-15(20)13-5-4-12(16)8-17-13/h4-5,8,11,14-15,20H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 281.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83128488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).