2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal

C12H22N2O — CID 15718282

IUPAC2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal
SMILESC=CCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h4,11H,1,5-10H2,2-3H3
InChIKeyURUDSXRIHLBWOI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds5

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

2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal (PubChem CID 15718282) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal
PubChem CID15718282
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal
SMILESC=CCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h4,11H,1,5-10H2,2-3H3
InChIKeyURUDSXRIHLBWOI-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal (CID 15718282) is 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal is C=CCN1CCN(CC(C)(C)C=O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal?
The InChIKey is URUDSXRIHLBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal?
2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal has a molecular weight of 210.32 g/mol, XLogP of 1.02, 5 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-prop-2-enylpiperazin-1-yl)propanal is sourced from PubChem (CID 15718282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).