4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

C11H20ClF3N2O — CID 119546844

IUPAC4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-15-8-9-3-6-16(7-4-9)10(17)2-5-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyFIZHCULFOIWELD-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.21
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119546844) has the molecular formula C11H20ClF3N2O and a molecular weight of 288.74 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119546844
Molecular FormulaC11H20ClF3N2O
Molecular Weight288.74 g/mol
Exact Mass288.12
IUPAC Name4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-15-8-9-3-6-16(7-4-9)10(17)2-5-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyFIZHCULFOIWELD-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119543398
4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 121200615
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119539118
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119545847
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
methyl 1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-carboxylate
CID 79035901
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517
3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546220

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119546844) is 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is CNCC1CCN(C(=O)CCC(F)(F)F)CC1.Cl.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is FIZHCULFOIWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.ClH/c1-15-8-9-3-6-16(7-4-9)10(17)2-5-11(12,13)14;/h9,15H,2-8H2,1H3;1H.
What are the key properties of 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119546844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).