2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid

C16H24N2O3 — CID 22681684

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
SMILESCOc1ccccc1N1CCN(C(C(=O)O)C(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-12(2)15(16(19)20)18-10-8-17(9-11-18)13-6-4-5-7-14(13)21-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyRFGCSYBLOCOWNZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid

2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid (PubChem CID 22681684) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
PubChem CID22681684
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
SMILESCOc1ccccc1N1CCN(C(C(=O)O)C(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-12(2)15(16(19)20)18-10-8-17(9-11-18)13-6-4-5-7-14(13)21-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyRFGCSYBLOCOWNZ-UHFFFAOYSA-N
XLogP1.93
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 20989921
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
azane;(E)-4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-oxobut-2-enoic acid
CID 173292352
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 17122032
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
CID 67680253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid (CID 22681684) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid is COc1ccccc1N1CCN(C(C(=O)O)C(C)C)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid?
The InChIKey is RFGCSYBLOCOWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)15(16(19)20)18-10-8-17(9-11-18)13-6-4-5-7-14(13)21-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 22681684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).