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

C16H24N2O3 — CID 62272663

IUPAC3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(N2CCN(CC(C)(C)C(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,15(19)20)12-17-7-9-18(10-8-17)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeySHLMXXKLBAWITH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds5

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

3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 62272663) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID62272663
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(N2CCN(CC(C)(C)C(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,15(19)20)12-17-7-9-18(10-8-17)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeySHLMXXKLBAWITH-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

4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62271088
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 22687094
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid (CID 62272663) is 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid is COc1cccc(N2CCN(CC(C)(C)C(=O)O)CC2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is SHLMXXKLBAWITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,15(19)20)12-17-7-9-18(10-8-17)13-5-4-6-14(11-13)21-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic 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 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).