3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid

C16H24N2O2 — CID 63069110

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-14(12-16(19)20)17-7-9-18(10-8-17)15-6-4-5-13(2)11-15/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyKUDJHJLILCEYFE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds5

About 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid

3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid (PubChem CID 63069110) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
PubChem CID63069110
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-14(12-16(19)20)17-7-9-18(10-8-17)15-6-4-5-13(2)11-15/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyKUDJHJLILCEYFE-UHFFFAOYSA-N
XLogP2.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]pentanethioamide
CID 43367697
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 103225336
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
1-[chloro(phenyl)methyl]-4-(3-methylphenyl)piperazine;oxalic acid
CID 160873696
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid (CID 63069110) is 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid is CCC(CC(=O)O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid?
The InChIKey is KUDJHJLILCEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(12-16(19)20)17-7-9-18(10-8-17)15-6-4-5-13(2)11-15/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid?
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 63069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).