3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid

C15H20INO3 — CID 65479275

IUPAC3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19)
InChIKeyQLZAHKNNYUVMCB-UHFFFAOYSA-N
MW389.23 g/mol
LogP2.75
Rot. Bonds6

About 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65479275) has the molecular formula C15H20INO3 and a molecular weight of 389.23 g/mol. Its IUPAC name is 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65479275
Molecular FormulaC15H20INO3
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Name3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19)
InChIKeyQLZAHKNNYUVMCB-UHFFFAOYSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic 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

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 106818963
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065674
3-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 83233579
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]propanoic acid
CID 65477435
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 66157692
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid (CID 65479275) is 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is QLZAHKNNYUVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO3/c16-13-3-1-12(2-4-13)11-17-8-5-14(6-9-17)20-10-7-15(18)19/h1-4,14H,5-11H2,(H,18,19).
What are the key properties of 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 389.23 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65479275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).