1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one

C15H21FN2O2 — CID 119377005

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(N)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-9-7-11(17)8-10-18/h3-6,11,13H,2,7-10,17H2,1H3
InChIKeyZOLOYZOXUPYISB-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one

1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one (PubChem CID 119377005) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
PubChem CID119377005
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(N)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-9-7-11(17)8-10-18/h3-6,11,13H,2,7-10,17H2,1H3
InChIKeyZOLOYZOXUPYISB-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-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
(2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 124612140
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119648473

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one (CID 119377005) is 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The InChIKey is ZOLOYZOXUPYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-13(20-14-6-4-3-5-12(14)16)15(19)18-9-7-11(17)8-10-18/h3-6,11,13H,2,7-10,17H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-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-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one is sourced from PubChem (CID 119377005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).