4-(4-ethylphenyl)-1-iodopiperidin-4-ol

C13H18INO — CID 138702315

IUPAC4-(4-ethylphenyl)-1-iodopiperidin-4-ol
SMILESCCc1ccc(C2(O)CCN(I)CC2)cc1
InChIInChI=1S/C13H18INO/c1-2-11-3-5-12(6-4-11)13(16)7-9-15(14)10-8-13/h3-6,16H,2,7-10H2,1H3
InChIKeyHUQYEUGWMAZYRT-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.88
Rot. Bonds2

About 4-(4-ethylphenyl)-1-iodopiperidin-4-ol

4-(4-ethylphenyl)-1-iodopiperidin-4-ol (PubChem CID 138702315) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-iodopiperidin-4-ol.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-iodopiperidin-4-ol
PubChem CID138702315
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-(4-ethylphenyl)-1-iodopiperidin-4-ol
SMILESCCc1ccc(C2(O)CCN(I)CC2)cc1
InChIInChI=1S/C13H18INO/c1-2-11-3-5-12(6-4-11)13(16)7-9-15(14)10-8-13/h3-6,16H,2,7-10H2,1H3
InChIKeyHUQYEUGWMAZYRT-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-iodopiperidin-4-ol?
The IUPAC name of 4-(4-ethylphenyl)-1-iodopiperidin-4-ol (CID 138702315) is 4-(4-ethylphenyl)-1-iodopiperidin-4-ol.
What is the SMILES notation for 4-(4-ethylphenyl)-1-iodopiperidin-4-ol?
The canonical SMILES for 4-(4-ethylphenyl)-1-iodopiperidin-4-ol is CCc1ccc(C2(O)CCN(I)CC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-iodopiperidin-4-ol?
The InChIKey is HUQYEUGWMAZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-2-11-3-5-12(6-4-11)13(16)7-9-15(14)10-8-13/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1-iodopiperidin-4-ol?
4-(4-ethylphenyl)-1-iodopiperidin-4-ol has a molecular weight of 331.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-iodopiperidin-4-ol is sourced from PubChem (CID 138702315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).