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

C12H22F2N2 — CID 177033114

IUPAC1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C)CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2/c1-4-15-10(2)12(3)5-7-16(8-6-12)9-11(13)14/h11,15H,2,4-9H2,1,3H3
InChIKeyOAXJPUWDVINELX-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.48
Rot. Bonds5

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

1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine (PubChem CID 177033114) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine
PubChem CID177033114
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C)CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2/c1-4-15-10(2)12(3)5-7-16(8-6-12)9-11(13)14/h11,15H,2,4-9H2,1,3H3
InChIKeyOAXJPUWDVINELX-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine (CID 177033114) is 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine is C=C(NCC)C1(C)CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine?
The InChIKey is OAXJPUWDVINELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-4-15-10(2)12(3)5-7-16(8-6-12)9-11(13)14/h11,15H,2,4-9H2,1,3H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine?
1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine has a molecular weight of 232.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine is sourced from PubChem (CID 177033114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).