1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid

C12H23NO3 — CID 65180438

IUPAC1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOCCCN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-16-9-5-8-13-7-4-6-12(2,10-13)11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyWBNKCKQCJNNLIZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid

1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 65180438) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID65180438
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOCCCN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-16-9-5-8-13-7-4-6-12(2,10-13)11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyWBNKCKQCJNNLIZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxylic acid
CID 63136364
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
CID 103728740
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137328

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid (CID 65180438) is 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid is CCOCCCN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WBNKCKQCJNNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-9-5-8-13-7-4-6-12(2,10-13)11(14)15/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65180438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).