4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid

C17H25NO4 — CID 117492352

IUPAC4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1CCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-21-15-12-14(18-9-4-3-5-10-18)16(22-2)11-13(15)7-6-8-17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyQBGSXIKIHNKEJM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.10
Rot. Bonds7

About 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid

4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid (PubChem CID 117492352) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
PubChem CID117492352
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1CCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-21-15-12-14(18-9-4-3-5-10-18)16(22-2)11-13(15)7-6-8-17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyQBGSXIKIHNKEJM-UHFFFAOYSA-N
XLogP3.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
4-[4-(dimethylamino)-2,5-dimethoxyphenyl]butanoic acid
CID 117421697
2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385
3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-3-methylbutanoic acid
CID 117492377
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
3-[(3-methoxy-4-piperidin-1-ylphenyl)methyl-methylamino]propanoic acid
CID 84754666
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid?
The IUPAC name of 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid (CID 117492352) is 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid?
The canonical SMILES for 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid is COc1cc(N2CCCCC2)c(OC)cc1CCCC(=O)O.
What is the InChIKey of 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid?
The InChIKey is QBGSXIKIHNKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-15-12-14(18-9-4-3-5-10-18)16(22-2)11-13(15)7-6-8-17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid?
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid is sourced from PubChem (CID 117492352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).