4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde

C17H31N3O2 — CID 6023501

IUPAC4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CCCCCCCCCC/C2=N/O)CC1
InChIInChI=1S/C17H31N3O2/c21-15-19-11-13-20(14-12-19)17-10-8-6-4-2-1-3-5-7-9-16(17)18-22/h15,17,22H,1-14H2/b18-16-
InChIKeyNFOHEQBJOGPBFR-VLGSPTGOSA-N
MW309.45 g/mol
LogP2.87
Rot. Bonds2

About 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde

4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde (PubChem CID 6023501) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde
PubChem CID6023501
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CCCCCCCCCC/C2=N/O)CC1
InChIInChI=1S/C17H31N3O2/c21-15-19-11-13-20(14-12-19)17-10-8-6-4-2-1-3-5-7-9-16(17)18-22/h15,17,22H,1-14H2/b18-16-
InChIKeyNFOHEQBJOGPBFR-VLGSPTGOSA-N
XLogP2.87
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde (CID 6023501) is 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde is O=CN1CCN(C2CCCCCCCCCC/C2=N/O)CC1.
What is the InChIKey of 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde?
The InChIKey is NFOHEQBJOGPBFR-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-15-19-11-13-20(14-12-19)17-10-8-6-4-2-1-3-5-7-9-16(17)18-22/h15,17,22H,1-14H2/b18-16-.
What are the key properties of 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde?
4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde has a molecular weight of 309.45 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-hydroxyiminocyclododecyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 6023501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).