2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde

C8H17N3O — CID 87801141

IUPAC2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde
SMILESCN(C)C1CNCCN1CC=O
InChIInChI=1S/C8H17N3O/c1-10(2)8-7-9-3-4-11(8)5-6-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyCCMBVQOJWJSSPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.02
Rot. Bonds3

About 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde

2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde (PubChem CID 87801141) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde
PubChem CID87801141
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde
SMILESCN(C)C1CNCCN1CC=O
InChIInChI=1S/C8H17N3O/c1-10(2)8-7-9-3-4-11(8)5-6-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyCCMBVQOJWJSSPA-UHFFFAOYSA-N
XLogP-1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde (CID 87801141) is 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde is CN(C)C1CNCCN1CC=O.
What is the InChIKey of 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde?
The InChIKey is CCMBVQOJWJSSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10(2)8-7-9-3-4-11(8)5-6-12/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde?
2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde has a molecular weight of 171.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 87801141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).