1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine

C9H18F2N2 — CID 60923175

IUPAC1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-2-12-8-3-5-13(6-4-8)7-9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyOVGKPETUHYLXPH-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.33
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine

1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine (PubChem CID 60923175) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
PubChem CID60923175
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-2-12-8-3-5-13(6-4-8)7-9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyOVGKPETUHYLXPH-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine (CID 60923175) is 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine is CCNC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine?
The InChIKey is OVGKPETUHYLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-2-12-8-3-5-13(6-4-8)7-9(10)11/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine?
1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine has a molecular weight of 192.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60923175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).