N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

C15H21F3N2 — CID 83993088

IUPACN-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(c2cccc(F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-2-11-6-13(19-8-15(17)18)10-20(9-11)14-5-3-4-12(16)7-14/h3-5,7,11,13,15,19H,2,6,8-10H2,1H3
InChIKeyGGBSJXGKCQLEOG-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.29
Rot. Bonds5

About N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (PubChem CID 83993088) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
PubChem CID83993088
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(c2cccc(F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-2-11-6-13(19-8-15(17)18)10-20(9-11)14-5-3-4-12(16)7-14/h3-5,7,11,13,15,19H,2,6,8-10H2,1H3
InChIKeyGGBSJXGKCQLEOG-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-cyclopropyl-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83991724
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621
N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83993074
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994488
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (CID 83993088) is N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is CCC1CC(NCC(F)F)CN(c2cccc(F)c2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The InChIKey is GGBSJXGKCQLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-11-6-13(19-8-15(17)18)10-20(9-11)14-5-3-4-12(16)7-14/h3-5,7,11,13,15,19H,2,6,8-10H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 83993088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).