(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride

C13H16ClF3N2O — CID 86276608

IUPAC(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-5-9(17)6-8-18;/h1-4,9H,5-8,17H2;1H
InChIKeyZLEHKRLHFFRNLY-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.69
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 86276608) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID86276608
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-5-9(17)6-8-18;/h1-4,9H,5-8,17H2;1H
InChIKeyZLEHKRLHFFRNLY-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120749297

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 86276608) is (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is ZLEHKRLHFFRNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-5-9(17)6-8-18;/h1-4,9H,5-8,17H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 86276608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).