ethane;4-methylpiperazine-1-carbaldehyde

C8H18N2O — CID 142221917

IUPACethane;4-methylpiperazine-1-carbaldehyde
SMILESCC.CN1CCN(C=O)CC1
InChIInChI=1S/C6H12N2O.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyYLQPEQJICZXNJQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.42
Rot. Bonds1

About ethane;4-methylpiperazine-1-carbaldehyde

ethane;4-methylpiperazine-1-carbaldehyde (PubChem CID 142221917) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is ethane;4-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-methylpiperazine-1-carbaldehyde
PubChem CID142221917
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Nameethane;4-methylpiperazine-1-carbaldehyde
SMILESCC.CN1CCN(C=O)CC1
InChIInChI=1S/C6H12N2O.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyYLQPEQJICZXNJQ-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Piperazinedicarboxaldehyde
CID 77821
1,1-Dimethyl-4-acetylpiperazinium
CID 4392675
1-Formyl-4-methylpiperazine
CID 3269221
1-Formyl-4-isopropylpiperazine
CID 18796408
N,N-bis(2-dimethylaminoethyl)formamide
CID 228354
1-(4-Ethylpiperazin-1-yl)ethanone
CID 4305495
N-(2-(4-methylpiperazin-1-yl)ethyl)formamide
CID 18695595
4-(2-Fluoropropyl)piperazine-1-carbaldehyde
CID 160908607
4-(2-Fluoro-2-methylpropyl)piperazine-1-carbaldehyde
CID 175527974
4-Ethylpiperazine-1-carbaldehyde
CID 12815388
4-Propylpiperazine-1-carbaldehyde
CID 19822213
1-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 20760526

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpiperazine-1-carbaldehyde?
The IUPAC name of ethane;4-methylpiperazine-1-carbaldehyde (CID 142221917) is ethane;4-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for ethane;4-methylpiperazine-1-carbaldehyde?
The canonical SMILES for ethane;4-methylpiperazine-1-carbaldehyde is CC.CN1CCN(C=O)CC1.
What is the InChIKey of ethane;4-methylpiperazine-1-carbaldehyde?
The InChIKey is YLQPEQJICZXNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methylpiperazine-1-carbaldehyde?
ethane;4-methylpiperazine-1-carbaldehyde has a molecular weight of 158.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 142221917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).