ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate

C16H22FNO2 — CID 18071355

IUPACethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)11-15(13-7-9-18-10-8-13)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyNDIXCODQDYSFGZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.86
Rot. Bonds5

About ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate

ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate (PubChem CID 18071355) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
PubChem CID18071355
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)11-15(13-7-9-18-10-8-13)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3
InChIKeyNDIXCODQDYSFGZ-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119755362
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate;hydrochloride
CID 119755361
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
ethyl 3-(4-fluorophenyl)-3-[1-(2,4,5-trimethylfuran-3-carbonyl)piperidin-4-yl]propanoate
CID 42943474
ethyl (3S)-3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate
CID 51936842
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
ethyl 3-(4-fluorophenyl)-3-[1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidin-4-yl]propanoate
CID 42951684
ethyl (3S)-3-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)propanoate
CID 37039173
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl (3R)-3-(4-fluorophenyl)-3-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]propanoate
CID 37039387

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate (CID 18071355) is ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate is CCOC(=O)CC(c1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate?
The InChIKey is NDIXCODQDYSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)11-15(13-7-9-18-10-8-13)12-3-5-14(17)6-4-12/h3-6,13,15,18H,2,7-11H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate?
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate has a molecular weight of 279.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate is sourced from PubChem (CID 18071355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).