[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride

C14H20Cl2F3N3O2 — CID 119493478

IUPAC[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cccnc2OCC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C14H18F3N3O2.2ClH/c1-18-10-4-3-7-20(8-10)13(21)11-5-2-6-19-12(11)22-9-14(15,16)17;;/h2,5-6,10,18H,3-4,7-9H2,1H3;2*1H
InChIKeyMFOKPFKSEOUAAT-UHFFFAOYSA-N
MW390.23 g/mol
LogP2.69
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride

[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119493478) has the molecular formula C14H20Cl2F3N3O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119493478
Molecular FormulaC14H20Cl2F3N3O2
Molecular Weight390.23 g/mol
Exact Mass389.09
IUPAC Name[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cccnc2OCC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C14H18F3N3O2.2ClH/c1-18-10-4-3-7-20(8-10)13(21)11-5-2-6-19-12(11)22-9-14(15,16)17;;/h2,5-6,10,18H,3-4,7-9H2,1H3;2*1H
InChIKeyMFOKPFKSEOUAAT-UHFFFAOYSA-N
XLogP2.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 95789013
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119625204
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 46479086
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride (CID 119493478) is [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride is CNC1CCCN(C(=O)c2cccnc2OCC(F)(F)F)C1.Cl.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is MFOKPFKSEOUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.2ClH/c1-18-10-4-3-7-20(8-10)13(21)11-5-2-6-19-12(11)22-9-14(15,16)17;;/h2,5-6,10,18H,3-4,7-9H2,1H3;2*1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 390.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119493478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).