(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine

C13H17F2N — CID 870764

IUPAC(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-10-5-2-3-8-16(10)9-11-12(14)6-4-7-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyAENNLLXESXJEHJ-JTQLQIEISA-N
MW225.28 g/mol
LogP3.34
Rot. Bonds2

About (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine

(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine (PubChem CID 870764) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
PubChem CID870764
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-10-5-2-3-8-16(10)9-11-12(14)6-4-7-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyAENNLLXESXJEHJ-JTQLQIEISA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
(3S)-2-[(2,6-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211191
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
[2-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970904
N-methyl-6-[(2-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 79243246
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine (CID 870764) is (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine is C[C@H]1CCCCN1Cc1c(F)cccc1F.
What is the InChIKey of (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine?
The InChIKey is AENNLLXESXJEHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2N/c1-10-5-2-3-8-16(10)9-11-12(14)6-4-7-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine?
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 870764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).