1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone

C9H17FN2O — CID 121200961

IUPAC1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(CF)C1
InChIInChI=1S/C9H17FN2O/c1-11-6-9(13)12-4-2-3-8(5-10)7-12/h8,11H,2-7H2,1H3
InChIKeyWWJMVUZJXPVSJT-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.41
Rot. Bonds3

About 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone

1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 121200961) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID121200961
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(CF)C1
InChIInChI=1S/C9H17FN2O/c1-11-6-9(13)12-4-2-3-8(5-10)7-12/h8,11H,2-7H2,1H3
InChIKeyWWJMVUZJXPVSJT-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 129496940
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone (CID 121200961) is 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC(CF)C1.
What is the InChIKey of 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is WWJMVUZJXPVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-11-6-9(13)12-4-2-3-8(5-10)7-12/h8,11H,2-7H2,1H3.
What are the key properties of 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 188.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).