[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol

C15H24FN3O — CID 115967196

IUPAC[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
SMILESCNC(c1ccc(F)cn1)C(C)CN1CCC(CO)C1
InChIInChI=1S/C15H24FN3O/c1-11(8-19-6-5-12(9-19)10-20)15(17-2)14-4-3-13(16)7-18-14/h3-4,7,11-12,15,17,20H,5-6,8-10H2,1-2H3
InChIKeyZPUDHZRORQQEBN-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.43
Rot. Bonds6

About [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol

[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol (PubChem CID 115967196) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
PubChem CID115967196
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
SMILESCNC(c1ccc(F)cn1)C(C)CN1CCC(CO)C1
InChIInChI=1S/C15H24FN3O/c1-11(8-19-6-5-12(9-19)10-20)15(17-2)14-4-3-13(16)7-18-14/h3-4,7,11-12,15,17,20H,5-6,8-10H2,1-2H3
InChIKeyZPUDHZRORQQEBN-UHFFFAOYSA-N
XLogP1.43
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837883
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
CID 83126773
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115941126
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115941288
1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol (CID 115967196) is [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol is CNC(c1ccc(F)cn1)C(C)CN1CCC(CO)C1.
What is the InChIKey of [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is ZPUDHZRORQQEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11(8-19-6-5-12(9-19)10-20)15(17-2)14-4-3-13(16)7-18-14/h3-4,7,11-12,15,17,20H,5-6,8-10H2,1-2H3.
What are the key properties of [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 281.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115967196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).