1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid

C12H23NO2 — CID 130901537

IUPAC1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1CC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(11(14)15)7-13(9)8-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyIOTFMZQAPKFOCP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid

1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 130901537) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID130901537
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1CC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(11(14)15)7-13(9)8-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyIOTFMZQAPKFOCP-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084191
1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 122084212
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
1-[[5-(4-tert-butylphenyl)furan-2-yl]methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124471
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084211
6-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122084119

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid (CID 130901537) is 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is IOTFMZQAPKFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-6-10(11(14)15)7-13(9)8-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid?
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).