4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid

C16H23NO2 — CID 117408104

IUPAC4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
SMILESCN1CCC(c2ccc(CCCC(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-17-11-9-15(10-12-17)14-7-5-13(6-8-14)3-2-4-16(18)19/h5-8,15H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyOBMVVGKUOFIBRW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds5

About 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid

4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid (PubChem CID 117408104) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
PubChem CID117408104
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
SMILESCN1CCC(c2ccc(CCCC(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-17-11-9-15(10-12-17)14-7-5-13(6-8-14)3-2-4-16(18)19/h5-8,15H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyOBMVVGKUOFIBRW-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
N-hydroxy-6-[4-(1-methylpiperidin-4-yl)phenyl]hexanamide
CID 142170348
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
CID 101453044
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756
1-[2,2-dimethyl-7-(1-methylpiperidin-4-yl)-3,4-dihydroquinolin-1-yl]-4-phenylbutan-1-one
CID 167675565
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
2,2-dimethyl-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117467737

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid (CID 117408104) is 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid is CN1CCC(c2ccc(CCCC(=O)O)cc2)CC1.
What is the InChIKey of 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid?
The InChIKey is OBMVVGKUOFIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-11-9-15(10-12-17)14-7-5-13(6-8-14)3-2-4-16(18)19/h5-8,15H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid?
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid is sourced from PubChem (CID 117408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).