1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid

C18H27NO2 — CID 82255447

IUPAC1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)c(C)c(CCN2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H27NO2/c1-12-11-13(2)15(4)17(14(12)3)7-10-19-8-5-16(6-9-19)18(20)21/h11,16H,5-10H2,1-4H3,(H,20,21)
InChIKeyJJWXXGKYABGNSO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid

1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 82255447) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID82255447
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)c(C)c(CCN2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H27NO2/c1-12-11-13(2)15(4)17(14(12)3)7-10-19-8-5-16(6-9-19)18(20)21/h11,16H,5-10H2,1-4H3,(H,20,21)
InChIKeyJJWXXGKYABGNSO-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82485246
1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035800
1-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907692
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 91838509
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 95404988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid (CID 82255447) is 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid is Cc1cc(C)c(C)c(CCN2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is JJWXXGKYABGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-11-13(2)15(4)17(14(12)3)7-10-19-8-5-16(6-9-19)18(20)21/h11,16H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82255447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).