1,1-diethyl-4-phenylpiperazin-1-ium

C14H23N2+ — CID 11581017

IUPAC1,1-diethyl-4-phenylpiperazin-1-ium
SMILESCC[N+]1(CC)CCN(c2ccccc2)CC1
InChIInChI=1S/C14H23N2/c1-3-16(4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/q+1
InChIKeyUWKHRAOGECLHFC-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.36
Rot. Bonds3

About 1,1-diethyl-4-phenylpiperazin-1-ium

1,1-diethyl-4-phenylpiperazin-1-ium (PubChem CID 11581017) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 1,1-diethyl-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1,1-diethyl-4-phenylpiperazin-1-ium
PubChem CID11581017
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name1,1-diethyl-4-phenylpiperazin-1-ium
SMILESCC[N+]1(CC)CCN(c2ccccc2)CC1
InChIInChI=1S/C14H23N2/c1-3-16(4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/q+1
InChIKeyUWKHRAOGECLHFC-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-diethyl-4-phenylpiperazin-1-ium 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 1,1-diethyl-4-phenylpiperazin-1-ium?
The IUPAC name of 1,1-diethyl-4-phenylpiperazin-1-ium (CID 11581017) is 1,1-diethyl-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1,1-diethyl-4-phenylpiperazin-1-ium?
The canonical SMILES for 1,1-diethyl-4-phenylpiperazin-1-ium is CC[N+]1(CC)CCN(c2ccccc2)CC1.
What is the InChIKey of 1,1-diethyl-4-phenylpiperazin-1-ium?
The InChIKey is UWKHRAOGECLHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2/c1-3-16(4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/q+1.
What are the key properties of 1,1-diethyl-4-phenylpiperazin-1-ium?
1,1-diethyl-4-phenylpiperazin-1-ium has a molecular weight of 219.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-4-phenylpiperazin-1-ium is sourced from PubChem (CID 11581017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).