2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid

C16H23NO3 — CID 103466206

IUPAC2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
SMILESCOCC(c1ccccc1)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H23NO3/c1-20-12-15(13-7-3-2-4-8-13)17-10-6-5-9-14(17)11-16(18)19/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyYKALYEOXVGOYEV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.70
Rot. Bonds6

About 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid

2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid (PubChem CID 103466206) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
PubChem CID103466206
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
SMILESCOCC(c1ccccc1)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H23NO3/c1-20-12-15(13-7-3-2-4-8-13)17-10-6-5-9-14(17)11-16(18)19/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyYKALYEOXVGOYEV-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068370
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068211
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole
CID 10689091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid (CID 103466206) is 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid is COCC(c1ccccc1)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid?
The InChIKey is YKALYEOXVGOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-12-15(13-7-3-2-4-8-13)17-10-6-5-9-14(17)11-16(18)19/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid?
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 103466206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).