1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide

C15H33N5O — CID 153398657

IUPAC1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide
SMILESCCN1CCN(CCN2CCN(C)CC2)CC1.CNC=O
InChIInChI=1S/C13H28N4.C2H5NO/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-3-2-4/h3-13H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyOWPPWABFSWAGQW-UHFFFAOYSA-N
MW299.46 g/mol
LogP-0.77
Rot. Bonds5

About 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide

1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide (PubChem CID 153398657) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide
PubChem CID153398657
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC Name1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide
SMILESCCN1CCN(CCN2CCN(C)CC2)CC1.CNC=O
InChIInChI=1S/C13H28N4.C2H5NO/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-3-2-4/h3-13H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyOWPPWABFSWAGQW-UHFFFAOYSA-N
XLogP-0.77
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 88632292
CID 88632292
ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
CID 142391074
ethane;N-methylformamide;1-methylpiperazine
CID 142853452
ethane;N-methylmethanamine;4-methylpiperazine-1-carbaldehyde
CID 144384525
N'-ethyl-N,N'-dimethylethane-1,2-diamine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde
CID 157724094
Bis(1-methylpiperazine);urea
CID 158844048
Piperazine;piperazine-1-carbaldehyde
CID 159765435
2-Methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde
CID 161049426
1,4-Dimethylpiperazine;formaldehyde;1-methylpiperazine
CID 161847737
1-Methylpiperazine;4-methylpiperazine-1-carbaldehyde
CID 174803758
Formaldehyde;bis(1-methylpiperazine)
CID 175251898
4-[2-(4-Methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde
CID 82084529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide?
The IUPAC name of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide (CID 153398657) is 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide.
What is the SMILES notation for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide?
The canonical SMILES for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide is CCN1CCN(CCN2CCN(C)CC2)CC1.CNC=O.
What is the InChIKey of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide?
The InChIKey is OWPPWABFSWAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.C2H5NO/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16;1-3-2-4/h3-13H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide?
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide has a molecular weight of 299.46 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide is sourced from PubChem (CID 153398657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).