6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid

C20H31NO3 — CID 142626546

IUPAC6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
SMILESO=C(O)CCCCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H31NO3/c22-20(23)9-4-1-3-8-18-10-12-19(13-11-18)24-17-7-16-21-14-5-2-6-15-21/h10-13H,1-9,14-17H2,(H,22,23)
InChIKeyXYGWRVCMXCIFRY-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.13
Rot. Bonds11

About 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid

6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid (PubChem CID 142626546) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid.

Molecular Properties

Compound Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
PubChem CID142626546
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
SMILESO=C(O)CCCCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H31NO3/c22-20(23)9-4-1-3-8-18-10-12-19(13-11-18)24-17-7-16-21-14-5-2-6-15-21/h10-13H,1-9,14-17H2,(H,22,23)
InChIKeyXYGWRVCMXCIFRY-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
CID 20986229
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid?
The IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid (CID 142626546) is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid.
What is the SMILES notation for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid?
The canonical SMILES for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid is O=C(O)CCCCCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid?
The InChIKey is XYGWRVCMXCIFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c22-20(23)9-4-1-3-8-18-10-12-19(13-11-18)24-17-7-16-21-14-5-2-6-15-21/h10-13H,1-9,14-17H2,(H,22,23).
What are the key properties of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid?
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid has a molecular weight of 333.47 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid is sourced from PubChem (CID 142626546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).