4-propan-2-ylpiperazine-1-carbaldehyde

C8H16N2O — CID 18796408

IUPAC4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O/c1-8(2)10-5-3-9(7-11)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyUGRNAAOSAUZBIT-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds2

About 4-propan-2-ylpiperazine-1-carbaldehyde

4-propan-2-ylpiperazine-1-carbaldehyde (PubChem CID 18796408) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-propan-2-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylpiperazine-1-carbaldehyde
PubChem CID18796408
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O/c1-8(2)10-5-3-9(7-11)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyUGRNAAOSAUZBIT-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperazine-1-carbaldehyde?
The IUPAC name of 4-propan-2-ylpiperazine-1-carbaldehyde (CID 18796408) is 4-propan-2-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-propan-2-ylpiperazine-1-carbaldehyde is CC(C)N1CCN(C=O)CC1.
What is the InChIKey of 4-propan-2-ylpiperazine-1-carbaldehyde?
The InChIKey is UGRNAAOSAUZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)10-5-3-9(7-11)4-6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylpiperazine-1-carbaldehyde?
4-propan-2-ylpiperazine-1-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 18796408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).