(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one

C15H20FNO2 — CID 9173642

IUPAC(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-13(15(18)17-10-6-3-7-11-17)19-14-9-5-4-8-12(14)16/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeyMDKYPEUZHPIRRX-CYBMUJFWSA-N
MW265.33 g/mol
LogP3.00
Rot. Bonds4

About (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one

(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one (PubChem CID 9173642) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
PubChem CID9173642
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-13(15(18)17-10-6-3-7-11-17)19-14-9-5-4-8-12(14)16/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeyMDKYPEUZHPIRRX-CYBMUJFWSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 4981254
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one (CID 9173642) is (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one is CC[C@@H](Oc1ccccc1F)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one?
The InChIKey is MDKYPEUZHPIRRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-13(15(18)17-10-6-3-7-11-17)19-14-9-5-4-8-12(14)16/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one?
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one has a molecular weight of 265.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 9173642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).