5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine

C12H16F2N2 — CID 143579558

IUPAC5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
SMILESCc1ccc(CN2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H16F2N2/c1-10-2-3-11(8-15-10)9-16-6-4-12(13,14)5-7-16/h2-3,8H,4-7,9H2,1H3
InChIKeyNHUNDINIPNHXKV-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.62
Rot. Bonds2

About 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine

5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine (PubChem CID 143579558) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
PubChem CID143579558
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
SMILESCc1ccc(CN2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H16F2N2/c1-10-2-3-11(8-15-10)9-16-6-4-12(13,14)5-7-16/h2-3,8H,4-7,9H2,1H3
InChIKeyNHUNDINIPNHXKV-UHFFFAOYSA-N
XLogP2.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
CID 134406832
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
CID 62995500
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
1-[(6-methyl-3-pyridinyl)methyl]-4-nitrosoazepane
CID 134406086
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
CID 165420034
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine?
The IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine (CID 143579558) is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine.
What is the SMILES notation for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine?
The canonical SMILES for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine is Cc1ccc(CN2CCC(F)(F)CC2)cn1.
What is the InChIKey of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine?
The InChIKey is NHUNDINIPNHXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-10-2-3-11(8-15-10)9-16-6-4-12(13,14)5-7-16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine?
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine has a molecular weight of 226.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine is sourced from PubChem (CID 143579558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).