2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal

C10H20N2O — CID 845392

IUPAC2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal
SMILESCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C10H20N2O/c1-10(2,9-13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3
InChIKeyYOCZDLHCZMTYNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds3

About 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal

2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal (PubChem CID 845392) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal
PubChem CID845392
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal
SMILESCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C10H20N2O/c1-10(2,9-13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3
InChIKeyYOCZDLHCZMTYNC-UHFFFAOYSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 50
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 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal (CID 845392) is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal is CN1CCN(CC(C)(C)C=O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal?
The InChIKey is YOCZDLHCZMTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,9-13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal?
2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal has a molecular weight of 184.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanal is sourced from PubChem (CID 845392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).