1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine

C14H24F4N2 — CID 177031717

IUPAC1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(C)(F)F)CC1
InChIInChI=1S/C14H24F4N2/c1-5-19-11(2)14(13(4,17)18)6-8-20(9-7-14)10-12(3,15)16/h19H,2,5-10H2,1,3-4H3
InChIKeyLQXFLYVDLRQTJG-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine

1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine (PubChem CID 177031717) has the molecular formula C14H24F4N2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine
PubChem CID177031717
Molecular FormulaC14H24F4N2
Molecular Weight296.35 g/mol
Exact Mass296.19
IUPAC Name1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(C)(F)F)CC1
InChIInChI=1S/C14H24F4N2/c1-5-19-11(2)14(13(4,17)18)6-8-20(9-7-14)10-12(3,15)16/h19H,2,5-10H2,1,3-4H3
InChIKeyLQXFLYVDLRQTJG-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine (CID 177031717) is 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine is C=C(NCC)C1(C(C)(F)F)CCN(CC(C)(F)F)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The InChIKey is LQXFLYVDLRQTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2/c1-5-19-11(2)14(13(4,17)18)6-8-20(9-7-14)10-12(3,15)16/h19H,2,5-10H2,1,3-4H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine?
1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine has a molecular weight of 296.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine is sourced from PubChem (CID 177031717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).