[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine

C9H17Cl2N3 — CID 80506182

IUPAC[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(CC(Cl)=CCl)C(CN)C1
InChIInChI=1S/C9H17Cl2N3/c1-13-2-3-14(6-8(11)4-10)9(5-12)7-13/h4,9H,2-3,5-7,12H2,1H3
InChIKeyIPVNTXYNTDDNSX-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.88
Rot. Bonds3

About [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine

[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506182) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80506182
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(CC(Cl)=CCl)C(CN)C1
InChIInChI=1S/C9H17Cl2N3/c1-13-2-3-14(6-8(11)4-10)9(5-12)7-13/h4,9H,2-3,5-7,12H2,1H3
InChIKeyIPVNTXYNTDDNSX-UHFFFAOYSA-N
XLogP0.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine (CID 80506182) is [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(CC(Cl)=CCl)C(CN)C1.
What is the InChIKey of [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is IPVNTXYNTDDNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2N3/c1-13-2-3-14(6-8(11)4-10)9(5-12)7-13/h4,9H,2-3,5-7,12H2,1H3.
What are the key properties of [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine?
[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 238.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).