3-(difluoromethyl)-1-ethylpiperidin-3-amine

C8H16F2N2 — CID 89364714

IUPAC3-(difluoromethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)(C(F)F)C1
InChIInChI=1S/C8H16F2N2/c1-2-12-5-3-4-8(11,6-12)7(9)10/h7H,2-6,11H2,1H3
InChIKeyXQDBYSQYHREQCM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds2

About 3-(difluoromethyl)-1-ethylpiperidin-3-amine

3-(difluoromethyl)-1-ethylpiperidin-3-amine (PubChem CID 89364714) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethylpiperidin-3-amine
PubChem CID89364714
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name3-(difluoromethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)(C(F)F)C1
InChIInChI=1S/C8H16F2N2/c1-2-12-5-3-4-8(11,6-12)7(9)10/h7H,2-6,11H2,1H3
InChIKeyXQDBYSQYHREQCM-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethylpiperidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-ethylpiperidin-3-amine (CID 89364714) is 3-(difluoromethyl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-ethylpiperidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-ethylpiperidin-3-amine is CCN1CCCC(N)(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-ethylpiperidin-3-amine?
The InChIKey is XQDBYSQYHREQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-2-12-5-3-4-8(11,6-12)7(9)10/h7H,2-6,11H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-ethylpiperidin-3-amine?
3-(difluoromethyl)-1-ethylpiperidin-3-amine has a molecular weight of 178.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 89364714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).