[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

C15H20ClF3N2O — CID 119437119

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(19)13-7-2-3-8-20(13)14(21)11-5-4-6-12(9-11)15(16,17)18;/h4-6,9-10,13H,2-3,7-8,19H2,1H3;1H
InChIKeyARCANVQNQQMWET-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.47
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 119437119) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID119437119
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10(19)13-7-2-3-8-20(13)14(21)11-5-4-6-12(9-11)15(16,17)18;/h4-6,9-10,13H,2-3,7-8,19H2,1H3;1H
InChIKeyARCANVQNQQMWET-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 119437375
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
[2-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119437495
[2-(1-aminoethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone;hydrochloride
CID 119435274
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 119437119) is [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is ARCANVQNQQMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-10(19)13-7-2-3-8-20(13)14(21)11-5-4-6-12(9-11)15(16,17)18;/h4-6,9-10,13H,2-3,7-8,19H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119437119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).