4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid

C16H23NO3 — CID 117444593

IUPAC4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CCCC(Oc2ccc(CCCC(=O)O)cc2)C1
InChIInChI=1S/C16H23NO3/c1-17-11-3-5-15(12-17)20-14-9-7-13(8-10-14)4-2-6-16(18)19/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyPOCWISCBYOIHSO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.57
Rot. Bonds6

About 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid

4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid (PubChem CID 117444593) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
PubChem CID117444593
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CCCC(Oc2ccc(CCCC(=O)O)cc2)C1
InChIInChI=1S/C16H23NO3/c1-17-11-3-5-15(12-17)20-14-9-7-13(8-10-14)4-2-6-16(18)19/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyPOCWISCBYOIHSO-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(thian-3-yloxy)phenyl]butanoic acid
CID 117450374
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
3-methyl-3-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117470826
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649
3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
CID 117095267
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
CID 70920975
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117376219

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid?
The IUPAC name of 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid (CID 117444593) is 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid.
What is the SMILES notation for 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid?
The canonical SMILES for 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid is CN1CCCC(Oc2ccc(CCCC(=O)O)cc2)C1.
What is the InChIKey of 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid?
The InChIKey is POCWISCBYOIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-11-3-5-15(12-17)20-14-9-7-13(8-10-14)4-2-6-16(18)19/h7-10,15H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid?
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid is sourced from PubChem (CID 117444593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).