4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H20F3N3 — CID 65376354

IUPAC4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-16-5-3-9(7-14,4-6-16)15-8-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyJEHKOCHUPMAQHQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.95
Rot. Bonds4

About 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 65376354) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID65376354
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-16-5-3-9(7-14,4-6-16)15-8-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyJEHKOCHUPMAQHQ-UHFFFAOYSA-N
XLogP0.95
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 65376354) is 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CCN1CCC(CN)(NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is JEHKOCHUPMAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-2-16-5-3-9(7-14,4-6-16)15-8-10(11,12)13/h15H,2-8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 65376354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).