3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C9H16ClF3N2O — CID 119490768

IUPAC3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)CC(F)(F)F)C1.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-13-7-3-2-4-14(6-7)8(15)5-9(10,11)12;/h7,13H,2-6H2,1H3;1H
InChIKeyDHLCHBRILHJNIT-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.57
Rot. Bonds2

About 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119490768) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119490768
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)CC(F)(F)F)C1.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-13-7-3-2-4-14(6-7)8(15)5-9(10,11)12;/h7,13H,2-6H2,1H3;1H
InChIKeyDHLCHBRILHJNIT-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119490768) is 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)CC(F)(F)F)C1.Cl.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is DHLCHBRILHJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c1-13-7-3-2-4-14(6-7)8(15)5-9(10,11)12;/h7,13H,2-6H2,1H3;1H.
What are the key properties of 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119490768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).