1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C8H14F3N3O — CID 154662947

IUPAC1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESNN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6/h6H,1-5,12H2,(H,13,15)
InChIKeyPDSIUPVLJYGEEQ-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.25
Rot. Bonds2

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

1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 154662947) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID154662947
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESNN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6/h6H,1-5,12H2,(H,13,15)
InChIKeyPDSIUPVLJYGEEQ-UHFFFAOYSA-N
XLogP0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 154662947) is 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is NN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is PDSIUPVLJYGEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6/h6H,1-5,12H2,(H,13,15).
What are the key properties of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 154662947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).