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

C11H22F3N3 — CID 65378642

IUPAC4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-2-5-17-6-3-10(8-15,4-7-17)16-9-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyWIJIMBVAUZPYBP-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.34
Rot. Bonds5

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

4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 65378642) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID65378642
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-2-5-17-6-3-10(8-15,4-7-17)16-9-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyWIJIMBVAUZPYBP-UHFFFAOYSA-N
XLogP1.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 65378642) is 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CCCN1CCC(CN)(NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WIJIMBVAUZPYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-2-5-17-6-3-10(8-15,4-7-17)16-9-11(12,13)14/h16H,2-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 65378642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).