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

C8H15ClF3N3O — CID 154662946

IUPAC1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O.ClH/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6;/h6H,1-5,12H2,(H,13,15);1H
InChIKeyRJRGXVXOJYPFEH-UHFFFAOYSA-N
MW261.67 g/mol
LogP0.67
Rot. Bonds2

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

1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 154662946) has the molecular formula C8H15ClF3N3O and a molecular weight of 261.67 g/mol. Its IUPAC name is 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID154662946
Molecular FormulaC8H15ClF3N3O
Molecular Weight261.67 g/mol
Exact Mass261.09
IUPAC Name1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O.ClH/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6;/h6H,1-5,12H2,(H,13,15);1H
InChIKeyRJRGXVXOJYPFEH-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 50.67
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;hydrochloride?
The IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (CID 154662946) is 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is Cl.NN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RJRGXVXOJYPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O.ClH/c9-8(10,11)5-13-7(15)6-1-3-14(12)4-2-6;/h6H,1-5,12H2,(H,13,15);1H.
What are the key properties of 1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
1-amino-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 261.67 g/mol, XLogP of 0.67, 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;hydrochloride is sourced from PubChem (CID 154662946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).