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

C8H14ClF3N2O — CID 42933701

IUPACN-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-7(14)6-1-3-12-4-2-6;/h6,12H,1-5H2,(H,13,14);1H
InChIKeyDGLVNKMHXSIKLU-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.09
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 42933701) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID42933701
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC NameN-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-7(14)6-1-3-12-4-2-6;/h6,12H,1-5H2,(H,13,14);1H
InChIKeyDGLVNKMHXSIKLU-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (CID 42933701) is N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is DGLVNKMHXSIKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-7(14)6-1-3-12-4-2-6;/h6,12H,1-5H2,(H,13,14);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 42933701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).