4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H18F3N3O — CID 107160287

IUPAC4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC1(CN)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(6-14)2-4-16(5-3-9)8(17)15-7-10(11,12)13/h2-7,14H2,1H3,(H,15,17)
InChIKeyQMYSSZNPCREBII-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.32
Rot. Bonds2

About 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 107160287) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID107160287
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC1(CN)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(6-14)2-4-16(5-3-9)8(17)15-7-10(11,12)13/h2-7,14H2,1H3,(H,15,17)
InChIKeyQMYSSZNPCREBII-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 107160287) is 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC1(CN)CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is QMYSSZNPCREBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(6-14)2-4-16(5-3-9)8(17)15-7-10(11,12)13/h2-7,14H2,1H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 107160287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).