4-(4-fluorobenzoyl)piperazine-1-carbaldehyde

C12H13FN2O2 — CID 2876745

IUPAC4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FN2O2/c13-11-3-1-10(2-4-11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyLTUOPYUNLKYVEL-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.74
Rot. Bonds2

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

4-(4-fluorobenzoyl)piperazine-1-carbaldehyde (PubChem CID 2876745) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
PubChem CID2876745
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FN2O2/c13-11-3-1-10(2-4-11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyLTUOPYUNLKYVEL-UHFFFAOYSA-N
XLogP0.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
4-[5-(4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230801
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde (CID 2876745) is 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde?
The InChIKey is LTUOPYUNLKYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/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-fluorobenzoyl)piperazine-1-carbaldehyde?
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde has a molecular weight of 236.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 2876745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).