1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone

C14H19FN2O — CID 115277195

IUPAC1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)N2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10-7-11(4-5-13(10)15)8-14(18)17-6-2-3-12(16)9-17/h4-5,7,12H,2-3,6,8-9,16H2,1H3
InChIKeyAKSZWTGILWKJIJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone

1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 115277195) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
PubChem CID115277195
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(CC(=O)N2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10-7-11(4-5-13(10)15)8-14(18)17-6-2-3-12(16)9-17/h4-5,7,12H,2-3,6,8-9,16H2,1H3
InChIKeyAKSZWTGILWKJIJ-UHFFFAOYSA-N
XLogP1.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone
CID 176515881
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone;hydrochloride
CID 176515880
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
1-[3-(bromomethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80661179
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone (CID 115277195) is 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(CC(=O)N2CCCC(N)C2)ccc1F.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is AKSZWTGILWKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-7-11(4-5-13(10)15)8-14(18)17-6-2-3-12(16)9-17/h4-5,7,12H,2-3,6,8-9,16H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 250.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 115277195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).