3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid

C16H23NO3 — CID 64527215

IUPAC3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
SMILESCOc1cccc(C(C)(CC(=O)O)N2CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-16(12-15(18)19,17-9-4-3-5-10-17)13-7-6-8-14(11-13)20-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRWRZOBFZQHUIRW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds5

About 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid

3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid (PubChem CID 64527215) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
PubChem CID64527215
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
SMILESCOc1cccc(C(C)(CC(=O)O)N2CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-16(12-15(18)19,17-9-4-3-5-10-17)13-7-6-8-14(11-13)20-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRWRZOBFZQHUIRW-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
3-(azepan-1-yl)-3-(3-bromophenyl)butanoic acid
CID 64527330
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122
3-(2,5-dimethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528718
3-(2,6-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527211
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)butanoic acid
CID 64529090
3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64527170
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
3-amino-3-(3-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91405046
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527221

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid (CID 64527215) is 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid is COc1cccc(C(C)(CC(=O)O)N2CCCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid?
The InChIKey is RWRZOBFZQHUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(12-15(18)19,17-9-4-3-5-10-17)13-7-6-8-14(11-13)20-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid?
3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 64527215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).