2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid

C15H21NO2 — CID 117019440

IUPAC2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cccc(N2CCCC(C(=O)O)C2(C)C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-4-7-12(10-11)16-9-5-8-13(14(17)18)15(16,2)3/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyMYXWWMDCIXMEJM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds2

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

2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 117019440) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
PubChem CID117019440
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cccc(N2CCCC(C(=O)O)C2(C)C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-4-7-12(10-11)16-9-5-8-13(14(17)18)15(16,2)3/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyMYXWWMDCIXMEJM-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
CID 117019445
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 117017725
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
methyl 3-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019246
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid (CID 117019440) is 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid is Cc1cccc(N2CCCC(C(=O)O)C2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is MYXWWMDCIXMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-7-12(10-11)16-9-5-8-13(14(17)18)15(16,2)3/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid?
2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117019440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).