4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid

C20H23NO3 — CID 19085087

IUPAC4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23NO3/c22-20(23)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24-15-14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2,(H,22,23)
InChIKeyMGHQKZGTJVWWRT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid

4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid (PubChem CID 19085087) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
PubChem CID19085087
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23NO3/c22-20(23)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24-15-14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2,(H,22,23)
InChIKeyMGHQKZGTJVWWRT-UHFFFAOYSA-N
XLogP3.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid?
The IUPAC name of 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid (CID 19085087) is 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid?
The InChIKey is MGHQKZGTJVWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(23)18-6-4-16(5-7-18)17-8-10-19(11-9-17)24-15-14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2,(H,22,23).
What are the key properties of 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid?
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid is sourced from PubChem (CID 19085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).