2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone

C16H23FN2O — CID 86908473

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-13-6-3-4-9-19(13)16(20)12-18(2)11-14-7-5-8-15(17)10-14/h5,7-8,10,13H,3-4,6,9,11-12H2,1-2H3
InChIKeyNIQLDIXWBKCNER-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.66
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone

2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 86908473) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID86908473
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-13-6-3-4-9-19(13)16(20)12-18(2)11-14-7-5-8-15(17)10-14/h5,7-8,10,13H,3-4,6,9,11-12H2,1-2H3
InChIKeyNIQLDIXWBKCNER-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 99107147
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 8909124
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442399
2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387
tert-butyl (2R)-2-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167079
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 86906760
2-[3-(5-fluoropyrimidin-2-yl)phenyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176809700
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone (CID 86908473) is 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is NIQLDIXWBKCNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13-6-3-4-9-19(13)16(20)12-18(2)11-14-7-5-8-15(17)10-14/h5,7-8,10,13H,3-4,6,9,11-12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 86908473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).