1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid

C12H23NO3 — CID 116503309

IUPAC1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCC(C)CN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO3/c1-10(9-16-3)8-13-6-4-12(2,5-7-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyVUYSOQVTGPEQJO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid

1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 116503309) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID116503309
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCC(C)CN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO3/c1-10(9-16-3)8-13-6-4-12(2,5-7-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyVUYSOQVTGPEQJO-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 116503311
1-(3-methoxy-2-methylpropyl)-4-phenylpiperidine-4-carboxylic acid
CID 116503324
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
1-(3-cyclohexyl-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046353
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid (CID 116503309) is 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid is COCC(C)CN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VUYSOQVTGPEQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(9-16-3)8-13-6-4-12(2,5-7-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 116503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).