4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid

C12H23NO2 — CID 55168038

IUPAC4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
SMILESCC(C)CCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)4-7-13-8-5-12(3,6-9-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyVAEDBYRIYVARHN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid

4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid (PubChem CID 55168038) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
PubChem CID55168038
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
SMILESCC(C)CCN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)4-7-13-8-5-12(3,6-9-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyVAEDBYRIYVARHN-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
CID 167711467
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
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
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
1-(3-methoxy-2-methylpropyl)-4-methylpiperidine-4-carboxylic acid
CID 116503309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid (CID 55168038) is 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid is CC(C)CCN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid?
The InChIKey is VAEDBYRIYVARHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)4-7-13-8-5-12(3,6-9-13)11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid?
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55168038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).