3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride

C15H20ClF3N2O — CID 119707250

IUPAC3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.NCC(C(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C15H19F3N2O.ClH/c16-15(17,18)12-6-8-20(9-7-12)14(21)13(10-19)11-4-2-1-3-5-11;/h1-5,12-13H,6-10,19H2;1H
InChIKeySSESRLAPBRISSC-UHFFFAOYSA-N
MW336.79 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride

3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119707250) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119707250
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.NCC(C(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C15H19F3N2O.ClH/c16-15(17,18)12-6-8-20(9-7-12)14(21)13(10-19)11-4-2-1-3-5-11;/h1-5,12-13H,6-10,19H2;1H
InChIKeySSESRLAPBRISSC-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415
(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
CID 107218759
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119707250) is 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride is Cl.NCC(C(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is SSESRLAPBRISSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c16-15(17,18)12-6-8-20(9-7-12)14(21)13(10-19)11-4-2-1-3-5-11;/h1-5,12-13H,6-10,19H2;1H.
What are the key properties of 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119707250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).