6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid

C12H23NO2 — CID 117021218

IUPAC6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CCC1(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-13-8-10(11(14)15)5-6-12(13,3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyFAZAXEHTZCXYQA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds3

About 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid

6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid (PubChem CID 117021218) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid
PubChem CID117021218
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CCC1(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-13-8-10(11(14)15)5-6-12(13,3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyFAZAXEHTZCXYQA-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-methoxyethyl)-6,6-dimethylpiperidine-3-carboxylic acid
CID 117021222
6,6-dimethylpiperidine-1,3-dicarboxylic acid
CID 123690605
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
CID 83915215
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
CID 117018394
[2-methyl-1-(2-methylpropyl)piperidin-2-yl]methanol
CID 127000302
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
4,4-dihexylcyclohexane-1-carboxylic acid
CID 142634765

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid (CID 117021218) is 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid is CC(C)CN1CC(C(=O)O)CCC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The InChIKey is FAZAXEHTZCXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-13-8-10(11(14)15)5-6-12(13,3)4/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid?
6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117021218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).