4-(4-iodobenzoyl)piperazine-1-carbaldehyde

C12H13IN2O2 — CID 875264

IUPAC4-(4-iodobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H13IN2O2/c13-11-3-1-10(2-4-11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyUALVBTHFRSNSGK-UHFFFAOYSA-N
MW344.15 g/mol
LogP1.21
Rot. Bonds2

About 4-(4-iodobenzoyl)piperazine-1-carbaldehyde

4-(4-iodobenzoyl)piperazine-1-carbaldehyde (PubChem CID 875264) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is 4-(4-iodobenzoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-iodobenzoyl)piperazine-1-carbaldehyde
PubChem CID875264
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC Name4-(4-iodobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H13IN2O2/c13-11-3-1-10(2-4-11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyUALVBTHFRSNSGK-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
4-(6-oxopyran-3-carbonyl)piperazine-1-carbaldehyde
CID 110697449
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
CID 2451417
4-(3-amino-4-bromobenzoyl)piperazine-1-carbaldehyde
CID 39451903

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodobenzoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-iodobenzoyl)piperazine-1-carbaldehyde (CID 875264) is 4-(4-iodobenzoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-iodobenzoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-iodobenzoyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 4-(4-iodobenzoyl)piperazine-1-carbaldehyde?
The InChIKey is UALVBTHFRSNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2/c13-11-3-1-10(2-4-11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2.
What are the key properties of 4-(4-iodobenzoyl)piperazine-1-carbaldehyde?
4-(4-iodobenzoyl)piperazine-1-carbaldehyde has a molecular weight of 344.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodobenzoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 875264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).