4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid

C16H23NO3 — CID 119135089

IUPAC4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
SMILESCOc1cccc(C2CCN(CCCC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO3/c1-20-15-5-2-4-14(12-15)13-7-10-17(11-8-13)9-3-6-16(18)19/h2,4-5,12-13H,3,6-11H2,1H3,(H,18,19)
InChIKeyPDAVZENOCBTKQV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.74
Rot. Bonds6

About 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid

4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid (PubChem CID 119135089) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
PubChem CID119135089
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
SMILESCOc1cccc(C2CCN(CCCC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO3/c1-20-15-5-2-4-14(12-15)13-7-10-17(11-8-13)9-3-6-16(18)19/h2,4-5,12-13H,3,6-11H2,1H3,(H,18,19)
InChIKeyPDAVZENOCBTKQV-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
CID 22049519
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
4-[3-[5-[4-(3-methoxyphenyl)piperidin-1-yl]pentanoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22911542
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-(4-phenoxypiperidin-1-yl)butanoic acid
CID 119134907
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid (CID 119135089) is 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid is COc1cccc(C2CCN(CCCC(=O)O)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid?
The InChIKey is PDAVZENOCBTKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15-5-2-4-14(12-15)13-7-10-17(11-8-13)9-3-6-16(18)19/h2,4-5,12-13H,3,6-11H2,1H3,(H,18,19).
What are the key properties of 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid?
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119135089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).