2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine

C16H24F2N2 — CID 83053569

IUPAC2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3
InChIKeyRDOUBLGFFASOBZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine

2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine (PubChem CID 83053569) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
PubChem CID83053569
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3
InChIKeyRDOUBLGFFASOBZ-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052417
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 105405159
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052117
1-(4-fluorophenyl)-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 107521942
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine (CID 83053569) is 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine is CCCC1CCCCN1C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The InChIKey is RDOUBLGFFASOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-5-13-6-3-4-9-20(13)16(11-19)12-7-8-14(17)15(18)10-12/h7-8,10,13,16H,2-6,9,11,19H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 83053569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).