3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

C10H17F3N2O — CID 61206563

IUPAC3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-14-6-8-3-2-4-15(7-8)9(16)5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyCREXMXBFGGYFSI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

About 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 61206563) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID61206563
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-14-6-8-3-2-4-15(7-8)9(16)5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyCREXMXBFGGYFSI-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanone
CID 124687749
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83135935
3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119397824
2,2-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 62679191
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 61206563) is 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CREXMXBFGGYFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-14-6-8-3-2-4-15(7-8)9(16)5-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.40, 3 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-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 61206563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).