2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline

C13H18F2N2 — CID 117116358

IUPAC2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
SMILESCN(C)c1cc(C2CCCCN2)cc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(2)12-8-9(7-10(14)13(12)15)11-5-3-4-6-16-11/h7-8,11,16H,3-6H2,1-2H3
InChIKeyKIPUQLRUCXNASO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.85
Rot. Bonds2

About 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline

2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline (PubChem CID 117116358) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline.

Molecular Properties

Compound Name2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
PubChem CID117116358
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
SMILESCN(C)c1cc(C2CCCCN2)cc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-17(2)12-8-9(7-10(14)13(12)15)11-5-3-4-6-16-11/h7-8,11,16H,3-6H2,1-2H3
InChIKeyKIPUQLRUCXNASO-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline?
The IUPAC name of 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline (CID 117116358) is 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline.
What is the SMILES notation for 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline?
The canonical SMILES for 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline is CN(C)c1cc(C2CCCCN2)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline?
The InChIKey is KIPUQLRUCXNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(2)12-8-9(7-10(14)13(12)15)11-5-3-4-6-16-11/h7-8,11,16H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline?
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline is sourced from PubChem (CID 117116358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).