1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid

C15H21NO2 — CID 82255457

IUPAC1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)8-10-16-9-2-3-14(11-16)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyPIVUPROLDHRYGC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid

1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82255457) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
PubChem CID82255457
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)8-10-16-9-2-3-14(11-16)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyPIVUPROLDHRYGC-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
1-[2-[bis(4-methylphenyl)methylsulfinyl]ethyl]piperidine-3-carboxylic acid
CID 53325698
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid (CID 82255457) is 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid is Cc1ccc(CCN2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is PIVUPROLDHRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-6-13(7-5-12)8-10-16-9-2-3-14(11-16)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid?
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82255457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).