4-(difluoromethoxy)-1-ethylpiperidin-3-amine

C8H16F2N2O — CID 145329919

IUPAC4-(difluoromethoxy)-1-ethylpiperidin-3-amine
SMILESCCN1CCC(OC(F)F)C(N)C1
InChIInChI=1S/C8H16F2N2O/c1-2-12-4-3-7(6(11)5-12)13-8(9)10/h6-8H,2-5,11H2,1H3
InChIKeyYAAPMQKXQMSZMM-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.65
Rot. Bonds3

About 4-(difluoromethoxy)-1-ethylpiperidin-3-amine

4-(difluoromethoxy)-1-ethylpiperidin-3-amine (PubChem CID 145329919) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-ethylpiperidin-3-amine
PubChem CID145329919
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name4-(difluoromethoxy)-1-ethylpiperidin-3-amine
SMILESCCN1CCC(OC(F)F)C(N)C1
InChIInChI=1S/C8H16F2N2O/c1-2-12-4-3-7(6(11)5-12)13-8(9)10/h6-8H,2-5,11H2,1H3
InChIKeyYAAPMQKXQMSZMM-UHFFFAOYSA-N
XLogP0.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-ethylpiperidin-3-amine?
The IUPAC name of 4-(difluoromethoxy)-1-ethylpiperidin-3-amine (CID 145329919) is 4-(difluoromethoxy)-1-ethylpiperidin-3-amine.
What is the SMILES notation for 4-(difluoromethoxy)-1-ethylpiperidin-3-amine?
The canonical SMILES for 4-(difluoromethoxy)-1-ethylpiperidin-3-amine is CCN1CCC(OC(F)F)C(N)C1.
What is the InChIKey of 4-(difluoromethoxy)-1-ethylpiperidin-3-amine?
The InChIKey is YAAPMQKXQMSZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-2-12-4-3-7(6(11)5-12)13-8(9)10/h6-8H,2-5,11H2,1H3.
What are the key properties of 4-(difluoromethoxy)-1-ethylpiperidin-3-amine?
4-(difluoromethoxy)-1-ethylpiperidin-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 145329919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).