1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

C11H20ClF3N2O2 — CID 119543398

IUPAC1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-15-6-9-2-4-16(5-3-9)10(17)7-18-8-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyHJRPDRRZKHYURI-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.45
Rot. Bonds5

About 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (PubChem CID 119543398) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
PubChem CID119543398
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Name1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-15-6-9-2-4-16(5-3-9)10(17)7-18-8-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyHJRPDRRZKHYURI-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119539118
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103805704
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124613081
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (CID 119543398) is 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is CNCC1CCN(C(=O)COCC(F)(F)F)CC1.Cl.
What is the InChIKey of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The InChIKey is HJRPDRRZKHYURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-15-6-9-2-4-16(5-3-9)10(17)7-18-8-11(12,13)14;/h9,15H,2-8H2,1H3;1H.
What are the key properties of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is sourced from PubChem (CID 119543398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).