2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

C15H27ClF3N3O — CID 120776491

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCC1N.Cl
InChIInChI=1S/C15H26F3N3O.ClH/c1-14(2)10-20(7-5-12(14)19)9-13(22)21-6-3-4-11(8-21)15(16,17)18;/h11-12H,3-10,19H2,1-2H3;1H
InChIKeyRPTQVGGWRLPDHL-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 120776491) has the molecular formula C15H27ClF3N3O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID120776491
Molecular FormulaC15H27ClF3N3O
Molecular Weight357.85 g/mol
Exact Mass357.18
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCC1N.Cl
InChIInChI=1S/C15H26F3N3O.ClH/c1-14(2)10-20(7-5-12(14)19)9-13(22)21-6-3-4-11(8-21)15(16,17)18;/h11-12H,3-10,19H2,1-2H3;1H
InChIKeyRPTQVGGWRLPDHL-UHFFFAOYSA-N
XLogP2.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 31640874
2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62101229
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
5-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one;hydrochloride
CID 120776588
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605
(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 178183828
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120774112
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 120776413
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 120776462

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (CID 120776491) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is CC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is RPTQVGGWRLPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O.ClH/c1-14(2)10-20(7-5-12(14)19)9-13(22)21-6-3-4-11(8-21)15(16,17)18;/h11-12H,3-10,19H2,1-2H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 357.85 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120776491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).