5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid

C12H23NO2 — CID 122121813

IUPAC5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid
SMILESCC(C)CCN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9(2)4-5-13-7-10(3)6-11(8-13)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOYUBWBMWWPJJHR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds4

About 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid

5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid (PubChem CID 122121813) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid
PubChem CID122121813
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid
SMILESCC(C)CCN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9(2)4-5-13-7-10(3)6-11(8-13)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOYUBWBMWWPJJHR-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid (CID 122121813) is 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid is CC(C)CCN1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid?
The InChIKey is OYUBWBMWWPJJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)4-5-13-7-10(3)6-11(8-13)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid?
5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).