2-(1-propylpiperazin-2-yl)propanal

C10H20N2O — CID 19031196

IUPAC2-(1-propylpiperazin-2-yl)propanal
SMILESCCCN1CCNCC1C(C)C=O
InChIInChI=1S/C10H20N2O/c1-3-5-12-6-4-11-7-10(12)9(2)8-13/h8-11H,3-7H2,1-2H3
InChIKeyYUOSIKFYBBJLFY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds4

About 2-(1-propylpiperazin-2-yl)propanal

2-(1-propylpiperazin-2-yl)propanal (PubChem CID 19031196) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-propylpiperazin-2-yl)propanal.

Molecular Properties

Compound Name2-(1-propylpiperazin-2-yl)propanal
PubChem CID19031196
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(1-propylpiperazin-2-yl)propanal
SMILESCCCN1CCNCC1C(C)C=O
InChIInChI=1S/C10H20N2O/c1-3-5-12-6-4-11-7-10(12)9(2)8-13/h8-11H,3-7H2,1-2H3
InChIKeyYUOSIKFYBBJLFY-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperazin-2-yl)propanal?
The IUPAC name of 2-(1-propylpiperazin-2-yl)propanal (CID 19031196) is 2-(1-propylpiperazin-2-yl)propanal.
What is the SMILES notation for 2-(1-propylpiperazin-2-yl)propanal?
The canonical SMILES for 2-(1-propylpiperazin-2-yl)propanal is CCCN1CCNCC1C(C)C=O.
What is the InChIKey of 2-(1-propylpiperazin-2-yl)propanal?
The InChIKey is YUOSIKFYBBJLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-12-6-4-11-7-10(12)9(2)8-13/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(1-propylpiperazin-2-yl)propanal?
2-(1-propylpiperazin-2-yl)propanal has a molecular weight of 184.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperazin-2-yl)propanal is sourced from PubChem (CID 19031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).