4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid

C15H22N2O2 — CID 82352205

IUPAC4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
SMILESCc1ccc(CC(CC(=O)O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)10-14(11-15(18)19)17-8-6-16-7-9-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)
InChIKeyWGCOJUSYRCQCLA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.29
Rot. Bonds5

About 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid

4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid (PubChem CID 82352205) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
PubChem CID82352205
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
SMILESCc1ccc(CC(CC(=O)O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)10-14(11-15(18)19)17-8-6-16-7-9-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)
InChIKeyWGCOJUSYRCQCLA-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352241
4-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)butanoic acid
CID 82352197
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)butanoic acid
CID 82352281
2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82086871
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 82352342
3-cyclopropyl-4-(4-methylphenyl)butanoic acid
CID 82079304
1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
CID 174747780
(3R)-4-methyl-3-[(4-methylphenyl)methyl]pentanoic acid
CID 69228127
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931
4-[3-(4-chlorophenyl)-2-piperazin-1-ylpropyl]-N,N-diethylaniline;dihydrochloride
CID 21448537

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid (CID 82352205) is 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid is Cc1ccc(CC(CC(=O)O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid?
The InChIKey is WGCOJUSYRCQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-2-4-13(5-3-12)10-14(11-15(18)19)17-8-6-16-7-9-17/h2-5,14,16H,6-11H2,1H3,(H,18,19).
What are the key properties of 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid?
4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 82352205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).