(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine

C14H19F2N — CID 870763

IUPAC(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
SMILESCC[C@@H]1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2N/c1-2-11-6-3-4-9-17(11)10-12-13(15)7-5-8-14(12)16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1
InChIKeyHWIGOOOMPYTLQZ-LLVKDONJSA-N
MW239.31 g/mol
LogP3.73
Rot. Bonds3

About (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine

(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine (PubChem CID 870763) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine.

Molecular Properties

Compound Name(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
PubChem CID870763
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
SMILESCC[C@@H]1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2N/c1-2-11-6-3-4-9-17(11)10-12-13(15)7-5-8-14(12)16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1
InChIKeyHWIGOOOMPYTLQZ-LLVKDONJSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine?
The IUPAC name of (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine (CID 870763) is (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine.
What is the SMILES notation for (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine?
The canonical SMILES for (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine is CC[C@@H]1CCCCN1Cc1c(F)cccc1F.
What is the InChIKey of (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine?
The InChIKey is HWIGOOOMPYTLQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-11-6-3-4-9-17(11)10-12-13(15)7-5-8-14(12)16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine?
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine has a molecular weight of 239.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine is sourced from PubChem (CID 870763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).