1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine

C11H19FN2 — CID 131052436

IUPAC1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(CN1CCC=C(F)C1)C1CNC1
InChIInChI=1S/C11H19FN2/c1-9(10-5-13-6-10)7-14-4-2-3-11(12)8-14/h3,9-10,13H,2,4-8H2,1H3
InChIKeyPUHXBDVPPIKBRG-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.40
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine

1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 131052436) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID131052436
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(CN1CCC=C(F)C1)C1CNC1
InChIInChI=1S/C11H19FN2/c1-9(10-5-13-6-10)7-14-4-2-3-11(12)8-14/h3,9-10,13H,2,4-8H2,1H3
InChIKeyPUHXBDVPPIKBRG-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 127007480
1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
CID 116679449
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
CID 116680465
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
CID 116680106
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine
CID 126994945
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483
4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine
CID 116679461
(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine (CID 131052436) is 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine is CC(CN1CCC=C(F)C1)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is PUHXBDVPPIKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-9(10-5-13-6-10)7-14-4-2-3-11(12)8-14/h3,9-10,13H,2,4-8H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine?
1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 198.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131052436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).