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

C12H24N2O — CID 62278455

IUPAC2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
SMILESCCCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h11H,4-10H2,1-3H3
InChIKeyMYVMHPQMTMRXNB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

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

2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal (PubChem CID 62278455) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
PubChem CID62278455
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
SMILESCCCN1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h11H,4-10H2,1-3H3
InChIKeyMYVMHPQMTMRXNB-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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-propylpiperazin-1-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal (CID 62278455) is 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal is CCCN1CCN(CC(C)(C)C=O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal?
The InChIKey is MYVMHPQMTMRXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-13-6-8-14(9-7-13)10-12(2,3)11-15/h11H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal?
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal has a molecular weight of 212.34 g/mol, XLogP of 1.24, 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-propylpiperazin-1-yl)propanal is sourced from PubChem (CID 62278455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).