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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Related Compounds

3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal
CID 175981178
2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal
CID 15718282
2,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propanal
CID 62275848
3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
CID 130643090
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
1-tert-butyl-4-propylpiperazine
CID 58721754
3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
CID 79812652
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanal
CID 79183438
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
CID 62270175
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162

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).