1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine

C17H37N3O — CID 166458931

IUPAC1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
SMILESCC(C)C=O.CC(C)N1CCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.C4H8O/c1-7(2)8-5-3-4-6-8;1-7-3-5-8(2)6-4-7;1-4(2)3-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyOAXXPNBAVYBPCF-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.20
Rot. Bonds2

About 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine

1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine (PubChem CID 166458931) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
PubChem CID166458931
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
SMILESCC(C)C=O.CC(C)N1CCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.C4H8O/c1-7(2)8-5-3-4-6-8;1-7-3-5-8(2)6-4-7;1-4(2)3-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyOAXXPNBAVYBPCF-UHFFFAOYSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
ethane;1-propan-2-ylpyrrolidine
CID 167557798
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
CID 177325455
ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 176978736

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine (CID 166458931) is 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine is CC(C)C=O.CC(C)N1CCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine?
The InChIKey is OAXXPNBAVYBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.C4H8O/c1-7(2)8-5-3-4-6-8;1-7-3-5-8(2)6-4-7;1-4(2)3-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine?
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine has a molecular weight of 299.50 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166458931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).