2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid

C28H31NO5 — CID 54537420

IUPAC2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid
SMILESCOc1ccccc1COC1CNCCC1c1ccc(OCCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C28H31NO5/c1-32-26-9-5-3-7-22(26)19-34-27-18-29-16-14-24(27)21-10-12-23(13-11-21)33-17-15-20-6-2-4-8-25(20)28(30)31/h2-13,24,27,29H,14-19H2,1H3,(H,30,31)
InChIKeyZATOHJPMHIAVOY-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.68
Rot. Bonds10

About 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid

2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid (PubChem CID 54537420) has the molecular formula C28H31NO5 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid
PubChem CID54537420
Molecular FormulaC28H31NO5
Molecular Weight461.56 g/mol
Exact Mass461.22
IUPAC Name2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid
SMILESCOc1ccccc1COC1CNCCC1c1ccc(OCCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C28H31NO5/c1-32-26-9-5-3-7-22(26)19-34-27-18-29-16-14-24(27)21-10-12-23(13-11-21)33-17-15-20-6-2-4-8-25(20)28(30)31/h2-13,24,27,29H,14-19H2,1H3,(H,30,31)
InChIKeyZATOHJPMHIAVOY-UHFFFAOYSA-N
XLogP4.68
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68505630
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
CID 22128513
methyl 4-[2-[2-[4-[4-[4-(2-methoxyphenyl)butoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]butanoate
CID 68505796
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68504096
2-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]acetic acid
CID 21253776
N-[2-(4-methoxybutyl)phenyl]-2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxy-N-methylacetamide
CID 59457107
N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide
CID 59457332
2-[5-fluoro-2-[2-[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl-methylcarbamic acid
CID 68501610
3-methoxy-N-[3-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]butanamide
CID 91333195
methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
CID 145126257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid?
The IUPAC name of 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid (CID 54537420) is 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid is COc1ccccc1COC1CNCCC1c1ccc(OCCc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid?
The InChIKey is ZATOHJPMHIAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO5/c1-32-26-9-5-3-7-22(26)19-34-27-18-29-16-14-24(27)21-10-12-23(13-11-21)33-17-15-20-6-2-4-8-25(20)28(30)31/h2-13,24,27,29H,14-19H2,1H3,(H,30,31).
What are the key properties of 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid?
2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid has a molecular weight of 461.56 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid is sourced from PubChem (CID 54537420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).