1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

C16H23FN2O — CID 114506383

IUPAC1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCC1CN(C(=O)Cc2ccccc2F)CCC1NC
InChIInChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-2)16(20)10-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyNBCRBQUOZUNJDK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.21
Rot. Bonds4

About 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 114506383) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID114506383
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCC1CN(C(=O)Cc2ccccc2F)CCC1NC
InChIInChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-2)16(20)10-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyNBCRBQUOZUNJDK-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
2-(2,6-difluorophenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114510031
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 84588705
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 114506383) is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is CCC1CN(C(=O)Cc2ccccc2F)CCC1NC.
What is the InChIKey of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is NBCRBQUOZUNJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-2)16(20)10-13-6-4-5-7-14(13)17/h4-7,12,15,18H,3,8-11H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 114506383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).