1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C12H18F6N2O — CID 103352163

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)C(CN)C1
InChIInChI=1S/C12H18F6N2O/c1-2-7-3-4-20(8(5-7)6-19)10(21)9(11(13,14)15)12(16,17)18/h7-9H,2-6,19H2,1H3
InChIKeyWQLNTCRDSQCASX-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103352163) has the molecular formula C12H18F6N2O and a molecular weight of 320.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103352163
Molecular FormulaC12H18F6N2O
Molecular Weight320.28 g/mol
Exact Mass320.13
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)C(CN)C1
InChIInChI=1S/C12H18F6N2O/c1-2-7-3-4-20(8(5-7)6-19)10(21)9(11(13,14)15)12(16,17)18/h7-9H,2-6,19H2,1H3
InChIKeyWQLNTCRDSQCASX-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 155470023
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212829
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
CID 103352210
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 103352188
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropanoic acid
CID 103352959
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 103353076
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 103352598
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
CID 103353189
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103352163) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is WQLNTCRDSQCASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O/c1-2-7-3-4-20(8(5-7)6-19)10(21)9(11(13,14)15)12(16,17)18/h7-9H,2-6,19H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 320.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103352163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).