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

C11H18ClF3N2O — CID 119303351

IUPACN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C11H17F3N2O.ClH/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9;/h2,9,15H,1,3-8H2;1H
InChIKeyDERFNLOYVRASGU-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.98
Rot. Bonds4

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

N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119303351) has the molecular formula C11H18ClF3N2O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119303351
Molecular FormulaC11H18ClF3N2O
Molecular Weight286.72 g/mol
Exact Mass286.11
IUPAC NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C11H17F3N2O.ClH/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9;/h2,9,15H,1,3-8H2;1H
InChIKeyDERFNLOYVRASGU-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
1-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 124199639
1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138603770
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
1-N-prop-2-enyl-4-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
CID 49723368
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077761
N-butyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54871193
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54871880
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55028790
N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 61608216
4-(Methylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 65536638

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (CID 119303351) is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is C=CCN(CC(F)(F)F)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is DERFNLOYVRASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O.ClH/c1-2-7-16(8-11(12,13)14)10(17)9-3-5-15-6-4-9;/h2,9,15H,1,3-8H2;1H.
What are the key properties of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 286.72 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119303351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).