2-(3-methylpiperidin-3-yl)oxybenzoic acid

C13H17NO3 — CID 117053969

IUPAC2-(3-methylpiperidin-3-yl)oxybenzoic acid
SMILESCC1(Oc2ccccc2C(=O)O)CCCNC1
InChIInChI=1S/C13H17NO3/c1-13(7-4-8-14-9-13)17-11-6-3-2-5-10(11)12(15)16/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)
InChIKeyDABPHCTZYVLSJV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-methylpiperidin-3-yl)oxybenzoic acid

2-(3-methylpiperidin-3-yl)oxybenzoic acid (PubChem CID 117053969) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-methylpiperidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(3-methylpiperidin-3-yl)oxybenzoic acid
PubChem CID117053969
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-methylpiperidin-3-yl)oxybenzoic acid
SMILESCC1(Oc2ccccc2C(=O)O)CCCNC1
InChIInChI=1S/C13H17NO3/c1-13(7-4-8-14-9-13)17-11-6-3-2-5-10(11)12(15)16/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)
InChIKeyDABPHCTZYVLSJV-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The IUPAC name of 2-(3-methylpiperidin-3-yl)oxybenzoic acid (CID 117053969) is 2-(3-methylpiperidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The canonical SMILES for 2-(3-methylpiperidin-3-yl)oxybenzoic acid is CC1(Oc2ccccc2C(=O)O)CCCNC1.
What is the InChIKey of 2-(3-methylpiperidin-3-yl)oxybenzoic acid?
The InChIKey is DABPHCTZYVLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(7-4-8-14-9-13)17-11-6-3-2-5-10(11)12(15)16/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(3-methylpiperidin-3-yl)oxybenzoic acid?
2-(3-methylpiperidin-3-yl)oxybenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 117053969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).