[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

C13H18Cl2F3N3O — CID 119491784

IUPAC[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.Cl
InChIInChI=1S/C13H16F3N3O.2ClH/c1-17-10-3-2-6-19(8-10)12(20)9-4-5-11(18-7-9)13(14,15)16;;/h4-5,7,10,17H,2-3,6,8H2,1H3;2*1H
InChIKeyKIMIUGRIPWPMPZ-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.77
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride

[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119491784) has the molecular formula C13H18Cl2F3N3O and a molecular weight of 360.21 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119491784
Molecular FormulaC13H18Cl2F3N3O
Molecular Weight360.21 g/mol
Exact Mass359.08
IUPAC Name[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.Cl
InChIInChI=1S/C13H16F3N3O.2ClH/c1-17-10-3-2-6-19(8-10)12(20)9-4-5-11(18-7-9)13(14,15)16;;/h4-5,7,10,17H,2-3,6,8H2,1H3;2*1H
InChIKeyKIMIUGRIPWPMPZ-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride (CID 119491784) is [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is CNC1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is KIMIUGRIPWPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O.2ClH/c1-17-10-3-2-6-19(8-10)12(20)9-4-5-11(18-7-9)13(14,15)16;;/h4-5,7,10,17H,2-3,6,8H2,1H3;2*1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride?
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 360.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119491784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).