1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid

C12H23NO3 — CID 104648450

IUPAC1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO3/c1-12(11(14)15)5-8-13(9-6-12)7-3-4-10-16-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyBLGCFMZTXKLVPG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid

1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 104648450) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID104648450
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOCCCCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO3/c1-12(11(14)15)5-8-13(9-6-12)7-3-4-10-16-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyBLGCFMZTXKLVPG-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

1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
CID 116503309
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
CID 117013124
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid (CID 104648450) is 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid is COCCCCN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is BLGCFMZTXKLVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(11(14)15)5-8-13(9-6-12)7-3-4-10-16-2/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid?
1-(4-methoxybutyl)-4-methylpiperidine-4-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-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 104648450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).