N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine

C12H17F2N3 — CID 112676152

IUPACN-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc(F)cc1F)C1CCCNC1
InChIInChI=1S/C12H17F2N3/c1-2-17(10-4-3-5-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyOBVGJZMDZBPEIV-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.94
Rot. Bonds3

About N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine

N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine (PubChem CID 112676152) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
PubChem CID112676152
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc(F)cc1F)C1CCCNC1
InChIInChI=1S/C12H17F2N3/c1-2-17(10-4-3-5-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyOBVGJZMDZBPEIV-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
CID 116648595
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
N-ethyl-N-(2-fluorophenyl)azepan-3-amine
CID 113229556
N-ethyl-4-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 63637344
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine?
The IUPAC name of N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine (CID 112676152) is N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine is CCN(c1ncc(F)cc1F)C1CCCNC1.
What is the InChIKey of N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine?
The InChIKey is OBVGJZMDZBPEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-2-17(10-4-3-5-15-8-10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine?
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine has a molecular weight of 241.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 112676152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).