2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone

C15H21FN2O — CID 108993727

IUPAC2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNCc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-12-6-8-18(9-7-12)15(19)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17H,6-11H2,1H3
InChIKeyMPUWOKMTKWXLFA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone

2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 108993727) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID108993727
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNCc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-12-6-8-18(9-7-12)15(19)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17H,6-11H2,1H3
InChIKeyMPUWOKMTKWXLFA-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 112991009
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 112991834
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
2-[(2,3-difluorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 78820307
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone (CID 108993727) is 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CNCc2ccccc2F)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is MPUWOKMTKWXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12-6-8-18(9-7-12)15(19)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17H,6-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 108993727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).