N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine

C11H23N3O — CID 62887185

IUPACN,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(CC2CO2)CC1
InChIInChI=1S/C11H23N3O/c1-12(2)3-4-13-5-7-14(8-6-13)9-11-10-15-11/h11H,3-10H2,1-2H3
InChIKeyPERUUEYGBYPPOI-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.44
Rot. Bonds5

About N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine (PubChem CID 62887185) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
PubChem CID62887185
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(CC2CO2)CC1
InChIInChI=1S/C11H23N3O/c1-12(2)3-4-13-5-7-14(8-6-13)9-11-10-15-11/h11H,3-10H2,1-2H3
InChIKeyPERUUEYGBYPPOI-UHFFFAOYSA-N
XLogP-0.44
TPSA22.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine (CID 62887185) is N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine is CN(C)CCN1CCN(CC2CO2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is PERUUEYGBYPPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12(2)3-4-13-5-7-14(8-6-13)9-11-10-15-11/h11H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 213.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62887185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).