2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride

C7H17Cl2N3O — CID 87614959

IUPAC2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride
SMILESCN1CCN(C(N)C=O)CC1.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-9-2-4-10(5-3-9)7(8)6-11;;/h6-7H,2-5,8H2,1H3;2*1H
InChIKeyDWINTHLAPZGHOR-UHFFFAOYSA-N
MW230.14 g/mol
LogP-0.44
Rot. Bonds2

About 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride

2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride (PubChem CID 87614959) has the molecular formula C7H17Cl2N3O and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride
PubChem CID87614959
Molecular FormulaC7H17Cl2N3O
Molecular Weight230.14 g/mol
Exact Mass229.07
IUPAC Name2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride
SMILESCN1CCN(C(N)C=O)CC1.Cl.Cl
InChIInChI=1S/C7H15N3O.2ClH/c1-9-2-4-10(5-3-9)7(8)6-11;;/h6-7H,2-5,8H2,1H3;2*1H
InChIKeyDWINTHLAPZGHOR-UHFFFAOYSA-N
XLogP-0.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 5-0.44
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-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride (CID 87614959) is 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride is CN1CCN(C(N)C=O)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride?
The InChIKey is DWINTHLAPZGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.2ClH/c1-9-2-4-10(5-3-9)7(8)6-11;;/h6-7H,2-5,8H2,1H3;2*1H.
What are the key properties of 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride?
2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride has a molecular weight of 230.14 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylpiperazin-1-yl)acetaldehyde;dihydrochloride is sourced from PubChem (CID 87614959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).