2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid

C19H21ClN2O2 — CID 20991836

IUPAC2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-2-1-3-18(13-17)22-10-8-21(9-11-22)14-16-6-4-15(5-7-16)12-19(23)24/h1-7,13H,8-12,14H2,(H,23,24)
InChIKeyDFPRJKGPJZRFTK-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid

2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid (PubChem CID 20991836) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
PubChem CID20991836
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-2-1-3-18(13-17)22-10-8-21(9-11-22)14-16-6-4-15(5-7-16)12-19(23)24/h1-7,13H,8-12,14H2,(H,23,24)
InChIKeyDFPRJKGPJZRFTK-UHFFFAOYSA-N
XLogP3.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
4-[4-(3-chlorophenyl)piperazin-1-yl]but-2-enoic acid
CID 76940624

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid (CID 20991836) is 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid?
The InChIKey is DFPRJKGPJZRFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-2-1-3-18(13-17)22-10-8-21(9-11-22)14-16-6-4-15(5-7-16)12-19(23)24/h1-7,13H,8-12,14H2,(H,23,24).
What are the key properties of 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid?
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid has a molecular weight of 344.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 20991836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).