[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone

C17H17IN2O2 — CID 2451417

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H17IN2O2/c18-14-3-1-13(2-4-14)17(22)20-11-9-19(10-12-20)15-5-7-16(21)8-6-15/h1-8,21H,9-12H2
InChIKeyYNNLXRQENGVJMG-UHFFFAOYSA-N
MW408.24 g/mol
LogP2.96
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone (PubChem CID 2451417) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
PubChem CID2451417
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H17IN2O2/c18-14-3-1-13(2-4-14)17(22)20-11-9-19(10-12-20)15-5-7-16(21)8-6-15/h1-8,21H,9-12H2
InChIKeyYNNLXRQENGVJMG-UHFFFAOYSA-N
XLogP2.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60787653
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(3,5-dimethoxy-4-methylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777604
1-[4-[4-(3-iodobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26240000
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone (CID 2451417) is [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone?
The InChIKey is YNNLXRQENGVJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c18-14-3-1-13(2-4-14)17(22)20-11-9-19(10-12-20)15-5-7-16(21)8-6-15/h1-8,21H,9-12H2.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone has a molecular weight of 408.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone is sourced from PubChem (CID 2451417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).