1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid

C16H23NO2 — CID 117019445

IUPAC1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
SMILESCc1cc(C)cc(N2CCCC(C(=O)O)C2(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)17-7-5-6-14(15(18)19)16(17,3)4/h8-10,14H,5-7H2,1-4H3,(H,18,19)
InChIKeyPSUDKJJXTAWKSX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.38
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid

1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid (PubChem CID 117019445) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
PubChem CID117019445
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
SMILESCc1cc(C)cc(N2CCCC(C(=O)O)C2(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)17-7-5-6-14(15(18)19)16(17,3)4/h8-10,14H,5-7H2,1-4H3,(H,18,19)
InChIKeyPSUDKJJXTAWKSX-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
CID 117019440
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
2-[1-(3,5-dimethylphenyl)-3-methylpiperidin-3-yl]acetic acid
CID 117013336
2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
CID 117019367
4-cyano-1-(3,5-dimethylphenyl)piperidine-4-carboxylic acid
CID 117008033
1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017933
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
2-[1-(3,5-dimethylphenyl)-3-hydroxypyrrolidin-3-yl]acetic acid
CID 117002549
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid (CID 117019445) is 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid is Cc1cc(C)cc(N2CCCC(C(=O)O)C2(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid?
The InChIKey is PSUDKJJXTAWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)17-7-5-6-14(15(18)19)16(17,3)4/h8-10,14H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid?
1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117019445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).