2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid

C21H26N2O4 — CID 95721987

IUPAC2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1N1CCN(Cc2ccccc2OCC(=O)O)[C@H](C)C1
InChIInChI=1S/C21H26N2O4/c1-16-13-23(18-8-4-6-10-20(18)26-2)12-11-22(16)14-17-7-3-5-9-19(17)27-15-21(24)25/h3-10,16H,11-15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyWHKCIUQOKRHEIW-MRXNPFEDSA-N
MW370.45 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 95721987) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
PubChem CID95721987
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1N1CCN(Cc2ccccc2OCC(=O)O)[C@H](C)C1
InChIInChI=1S/C21H26N2O4/c1-16-13-23(18-8-4-6-10-20(18)26-2)12-11-22(16)14-17-7-3-5-9-19(17)27-15-21(24)25/h3-10,16H,11-15H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyWHKCIUQOKRHEIW-MRXNPFEDSA-N
XLogP2.87
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
CID 56909683
2-[2-(3-ethylazetidin-1-yl)phenoxy]acetic acid
CID 79695506
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
2-[2-(azepan-1-yl)phenoxy]acetic acid
CID 79694156
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
2-[2-[[(1S,4R,8S,9R)-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]methyl]phenoxy]acetic acid
CID 110141830
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid (CID 95721987) is 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid is COc1ccccc1N1CCN(Cc2ccccc2OCC(=O)O)[C@H](C)C1.
What is the InChIKey of 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is WHKCIUQOKRHEIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-13-23(18-8-4-6-10-20(18)26-2)12-11-22(16)14-17-7-3-5-9-19(17)27-15-21(24)25/h3-10,16H,11-15H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 370.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 95721987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).