1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one

C15H21FN2O2 — CID 122149049

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
SMILESCC1CC(N)CCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-11-10-12(17)6-8-18(11)15(19)7-9-20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3
InChIKeyBPSLZRXXAMVLIJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one

1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one (PubChem CID 122149049) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
PubChem CID122149049
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
SMILESCC1CC(N)CCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-11-10-12(17)6-8-18(11)15(19)7-9-20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3
InChIKeyBPSLZRXXAMVLIJ-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124689317
1-(4-amino-2-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)propan-1-one
CID 122149230
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(2-bromo-4-methylphenoxy)propan-1-one
CID 124691665
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124691393
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119631870
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one (CID 122149049) is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one is CC1CC(N)CCN1C(=O)CCOc1ccccc1F.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one?
The InChIKey is BPSLZRXXAMVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-10-12(17)6-8-18(11)15(19)7-9-20-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one?
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one is sourced from PubChem (CID 122149049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).