4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid

C21H25NO3 — CID 67830997

IUPAC4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
SMILESCCc1ccc(C(OC2CCN(C(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-2-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)25-19-12-14-22(15-13-19)21(23)24/h3-11,19-20H,2,12-15H2,1H3,(H,23,24)
InChIKeyCJGDRZDELORTBC-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.50
Rot. Bonds5

About 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid

4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid (PubChem CID 67830997) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
PubChem CID67830997
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
SMILESCCc1ccc(C(OC2CCN(C(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-2-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)25-19-12-14-22(15-13-19)21(23)24/h3-11,19-20H,2,12-15H2,1H3,(H,23,24)
InChIKeyCJGDRZDELORTBC-UHFFFAOYSA-N
XLogP4.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10449632
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
1-[4-(1-phenylpropoxy)piperidin-1-yl]ethanone
CID 101180270
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
5-[[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 89474418
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid (CID 67830997) is 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid is CCc1ccc(C(OC2CCN(C(=O)O)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid?
The InChIKey is CJGDRZDELORTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)25-19-12-14-22(15-13-19)21(23)24/h3-11,19-20H,2,12-15H2,1H3,(H,23,24).
What are the key properties of 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid?
4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67830997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).