(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C13H16ClF3N2O — CID 119944243

IUPAC(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17;/h1-4,9H,5-8,17H2;1H
InChIKeyQFPFLAYMVZBFNR-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.11
Rot. Bonds1

About (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119944243) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119944243
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17;/h1-4,9H,5-8,17H2;1H
InChIKeyQFPFLAYMVZBFNR-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 119944243) is (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.Nc1ccccc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is QFPFLAYMVZBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17;/h1-4,9H,5-8,17H2;1H.
What are the key properties of (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119944243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).