1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone

C15H20F2N2O — CID 62029233

IUPAC1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(CC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-8-11-3-2-6-19(9-11)10-15(20)13-5-4-12(16)7-14(13)17/h4-5,7,11,18H,2-3,6,8-10H2,1H3
InChIKeyJOGPVBIVCMNZLC-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone

1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 62029233) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID62029233
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(CC(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-8-11-3-2-6-19(9-11)10-15(20)13-5-4-12(16)7-14(13)17/h4-5,7,11,18H,2-3,6,8-10H2,1H3
InChIKeyJOGPVBIVCMNZLC-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452216

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone (CID 62029233) is 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCCN(CC(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is JOGPVBIVCMNZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-8-11-3-2-6-19(9-11)10-15(20)13-5-4-12(16)7-14(13)17/h4-5,7,11,18H,2-3,6,8-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62029233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).