2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid

C23H29NO2 — CID 146175407

IUPAC2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2ccccc2CCC2CCCCN2C)c1
InChIInChI=1S/C23H29NO2/c1-17-10-11-19(16-23(25)26)22(15-17)21-9-4-3-7-18(21)12-13-20-8-5-6-14-24(20)2/h3-4,7,9-11,15,20H,5-6,8,12-14,16H2,1-2H3,(H,25,26)
InChIKeyXXFGXWVCQALLDV-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.71
Rot. Bonds6

About 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid

2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid (PubChem CID 146175407) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid
PubChem CID146175407
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2ccccc2CCC2CCCCN2C)c1
InChIInChI=1S/C23H29NO2/c1-17-10-11-19(16-23(25)26)22(15-17)21-9-4-3-7-18(21)12-13-20-8-5-6-14-24(20)2/h3-4,7,9-11,15,20H,5-6,8,12-14,16H2,1-2H3,(H,25,26)
InChIKeyXXFGXWVCQALLDV-UHFFFAOYSA-N
XLogP4.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenol
CID 153351940
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
[4-benzamido-3-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] acetate
CID 20560025
4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
CID 20560119
1-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]-3-phenylthiourea
CID 13193105
[2-(3-fluorophenyl)-4-methylphenyl]-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamic acid
CID 121411233
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
[2-[2-(1-methylpiperidin-2-yl)ethyl]-4-nitrophenyl] hydrogen carbonate;hydrochloride
CID 141393691

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid (CID 146175407) is 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid is Cc1ccc(CC(=O)O)c(-c2ccccc2CCC2CCCCN2C)c1.
What is the InChIKey of 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid?
The InChIKey is XXFGXWVCQALLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17-10-11-19(16-23(25)26)22(15-17)21-9-4-3-7-18(21)12-13-20-8-5-6-14-24(20)2/h3-4,7,9-11,15,20H,5-6,8,12-14,16H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid?
2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid has a molecular weight of 351.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 146175407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).