3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid

C16H22FNO3 — CID 62217888

IUPAC3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c17-14-2-4-15(5-3-14)21-12-11-18-9-7-13(8-10-18)1-6-16(19)20/h2-5,13H,1,6-12H2,(H,19,20)
InChIKeyKQVQFTXYVIGYQR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.78
Rot. Bonds7

About 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid

3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 62217888) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
PubChem CID62217888
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c17-14-2-4-15(5-3-14)21-12-11-18-9-7-13(8-10-18)1-6-16(19)20/h2-5,13H,1,6-12H2,(H,19,20)
InChIKeyKQVQFTXYVIGYQR-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
8-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]octanoic acid
CID 67750378
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid (CID 62217888) is 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is KQVQFTXYVIGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c17-14-2-4-15(5-3-14)21-12-11-18-9-7-13(8-10-18)1-6-16(19)20/h2-5,13H,1,6-12H2,(H,19,20).
What are the key properties of 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 295.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).