5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine

C11H19FN2 — CID 131186215

IUPAC5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CC2CCNCC2)C1
InChIInChI=1S/C11H19FN2/c12-11-2-1-7-14(9-11)8-10-3-5-13-6-4-10/h2,10,13H,1,3-9H2
InChIKeySAEQXQLJMKIAJQ-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.55
Rot. Bonds2

About 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 131186215) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID131186215
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CC2CCNCC2)C1
InChIInChI=1S/C11H19FN2/c12-11-2-1-7-14(9-11)8-10-3-5-13-6-4-10/h2,10,13H,1,3-9H2
InChIKeySAEQXQLJMKIAJQ-UHFFFAOYSA-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

Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443
4-[(Z)-2-fluoroprop-1-enyl]piperidine
CID 131972842
(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
CID 156543123
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
4-(1-Fluoro-3-methylbut-2-enyl)piperidine
CID 112563695
1-[[(3S)-piperidin-3-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 112737126
1-(2-piperidin-3-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591662
1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591684
2-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine (CID 131186215) is 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine is FC1=CCCN(CC2CCNCC2)C1.
What is the InChIKey of 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SAEQXQLJMKIAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c12-11-2-1-7-14(9-11)8-10-3-5-13-6-4-10/h2,10,13H,1,3-9H2.
What are the key properties of 5-fluoro-1-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(piperidin-4-ylmethyl)-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-(piperidin-4-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131186215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).