1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate

C16H22FNO3 — CID 2928612

IUPAC1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3
InChIKeyUYXWPHIFLIFNDH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.62
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate

1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate (PubChem CID 2928612) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
PubChem CID2928612
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3
InChIKeyUYXWPHIFLIFNDH-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
CID 3781390
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
CID 53351977
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(4-tert-butylphenoxy)acetate
CID 3521789
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7649771
(4-ethoxyphenyl)-[(2S)-1-piperidin-1-ylpropan-2-yl]oxycarbonylazanium
CID 102464332
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 2-(3-methylphenoxy)acetate
CID 937223
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
methyl 2-(4-fluorophenoxy)acetate
CID 580550
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 8601395

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate (CID 2928612) is 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate is CC(CN1CCCCC1)OC(=O)COc1ccc(F)cc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate?
The InChIKey is UYXWPHIFLIFNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate?
1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate has a molecular weight of 295.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 2928612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).