5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine

C11H19FN2 — CID 127007478

IUPAC5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(C[C@@H]2CCCNC2)C1
InChIInChI=1S/C11H19FN2/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10/h4,10,13H,1-3,5-9H2/t10-/m1/s1
InChIKeyYOXQTUBUZPIYKI-SNVBAGLBSA-N
MW198.28 g/mol
LogP1.55
Rot. Bonds2

About 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine

5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine (PubChem CID 127007478) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
PubChem CID127007478
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(C[C@@H]2CCCNC2)C1
InChIInChI=1S/C11H19FN2/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10/h4,10,13H,1-3,5-9H2/t10-/m1/s1
InChIKeyYOXQTUBUZPIYKI-SNVBAGLBSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine (CID 127007478) is 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine is FC1=CCCN(C[C@@H]2CCCNC2)C1.
What is the InChIKey of 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is YOXQTUBUZPIYKI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19FN2/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10/h4,10,13H,1-3,5-9H2/t10-/m1/s1.
What are the key properties of 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 198.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 127007478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).