2-(2-methylphenyl)-2-piperidin-2-ylacetic acid

C14H19NO2 — CID 155433521

IUPAC2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
SMILESCc1ccccc1C(C(=O)O)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyVMSUBIOFNJCMCE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid

2-(2-methylphenyl)-2-piperidin-2-ylacetic acid (PubChem CID 155433521) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
PubChem CID155433521
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
SMILESCc1ccccc1C(C(=O)O)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyVMSUBIOFNJCMCE-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10657508
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
1,1,5,5-tetraphenyl-2,4-di(piperidin-2-yl)pentan-3-one;hydrochloride
CID 174956576
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid?
The IUPAC name of 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid (CID 155433521) is 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid.
What is the SMILES notation for 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid?
The canonical SMILES for 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid is Cc1ccccc1C(C(=O)O)C1CCCCN1.
What is the InChIKey of 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid?
The InChIKey is VMSUBIOFNJCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid?
2-(2-methylphenyl)-2-piperidin-2-ylacetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-piperidin-2-ylacetic acid is sourced from PubChem (CID 155433521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).