3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine

C11H14F2N2 — CID 117007748

IUPAC3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
SMILESFC1(F)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C11H14F2N2/c12-11(13)3-6-15(7-4-11)9-10-2-1-5-14-8-10/h1-2,5,8H,3-4,6-7,9H2
InChIKeyJDFWMOSBFKIZNU-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.31
Rot. Bonds2

About 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine

3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine (PubChem CID 117007748) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
PubChem CID117007748
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
SMILESFC1(F)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C11H14F2N2/c12-11(13)3-6-15(7-4-11)9-10-2-1-5-14-8-10/h1-2,5,8H,3-4,6-7,9H2
InChIKeyJDFWMOSBFKIZNU-UHFFFAOYSA-N
XLogP2.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-methanidyl-4-(pyridin-3-ylmethyl)piperazin-1-ium
CID 166017108
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine (CID 117007748) is 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine is FC1(F)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The InChIKey is JDFWMOSBFKIZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)3-6-15(7-4-11)9-10-2-1-5-14-8-10/h1-2,5,8H,3-4,6-7,9H2.
What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine has a molecular weight of 212.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 117007748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).