1-benzyl-4-ethoxypiperidine-4-carboxylic acid

C15H21NO3 — CID 84711075

IUPAC1-benzyl-4-ethoxypiperidine-4-carboxylic acid
SMILESCCOC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-2-19-15(14(17)18)8-10-16(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyFRJPBOMBQNOAOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.14
Rot. Bonds5

About 1-benzyl-4-ethoxypiperidine-4-carboxylic acid

1-benzyl-4-ethoxypiperidine-4-carboxylic acid (PubChem CID 84711075) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-4-ethoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-ethoxypiperidine-4-carboxylic acid
PubChem CID84711075
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-benzyl-4-ethoxypiperidine-4-carboxylic acid
SMILESCCOC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-2-19-15(14(17)18)8-10-16(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyFRJPBOMBQNOAOL-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
4-Benzylmorpholine-2-carboxylic acid
CID 2776353
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943
(S)-4-Benzylmorpholine-2-carboxylic acid
CID 736504
1-Benzylpiperidine-4-carboxylic acid
CID 4714983
(4-Benzylmorpholin-2-yl)acetic acid
CID 4163696
Methyl 1-benzylpiperidine-4-carboxylate
CID 11436222
1-Benzyl-4-propionyloxypiperidine
CID 11959669
4-Benzylmorpholine-2-carboxylic acid hydrochloride
CID 2776352
Methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 14025338
4-Piperidinecarboxylicacid, 4-hydroxy-1-(phenylmethyl)-
CID 20394181
1-Benzyl-4-methylpiperidine-4-carboxylic acid hydrochloride
CID 75466902

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-ethoxypiperidine-4-carboxylic acid (CID 84711075) is 1-benzyl-4-ethoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-ethoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-ethoxypiperidine-4-carboxylic acid is CCOC1(C(=O)O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-ethoxypiperidine-4-carboxylic acid?
The InChIKey is FRJPBOMBQNOAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(14(17)18)8-10-16(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,18).
What are the key properties of 1-benzyl-4-ethoxypiperidine-4-carboxylic acid?
1-benzyl-4-ethoxypiperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 84711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).