(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

C12H16Cl2F3N3O — CID 119375608

IUPAC(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H14F3N3O.2ClH/c13-12(14,15)10-2-1-8(7-17-10)11(19)18-5-3-9(16)4-6-18;;/h1-2,7,9H,3-6,16H2;2*1H
InChIKeyFYMSUMXMCLJJJK-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.51
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119375608) has the molecular formula C12H16Cl2F3N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119375608
Molecular FormulaC12H16Cl2F3N3O
Molecular Weight346.18 g/mol
Exact Mass345.06
IUPAC Name(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H14F3N3O.2ClH/c13-12(14,15)10-2-1-8(7-17-10)11(19)18-5-3-9(16)4-6-18;;/h1-2,7,9H,3-6,16H2;2*1H
InChIKeyFYMSUMXMCLJJJK-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899694
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
(7-thiophen-2-yl-1,4-thiazepan-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 90632884

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (CID 119375608) is (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is FYMSUMXMCLJJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O.2ClH/c13-12(14,15)10-2-1-8(7-17-10)11(19)18-5-3-9(16)4-6-18;;/h1-2,7,9H,3-6,16H2;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 346.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119375608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).