2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate

C19H29FN4O2 — CID 42633289

IUPAC2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
SMILESCN1CCN(CCOC(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H29FN4O2/c1-21-6-8-22(9-7-21)14-15-26-19(25)24-12-10-23(11-13-24)16-17-2-4-18(20)5-3-17/h2-5H,6-16H2,1H3
InChIKeyVNEQOYYLKACOPG-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.33
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate

2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate (PubChem CID 42633289) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
PubChem CID42633289
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
SMILESCN1CCN(CCOC(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H29FN4O2/c1-21-6-8-22(9-7-21)14-15-26-19(25)24-12-10-23(11-13-24)16-17-2-4-18(20)5-3-17/h2-5H,6-16H2,1H3
InChIKeyVNEQOYYLKACOPG-UHFFFAOYSA-N
XLogP1.33
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate 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 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate (CID 42633289) is 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate is CN1CCN(CCOC(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The InChIKey is VNEQOYYLKACOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-21-6-8-22(9-7-21)14-15-26-19(25)24-12-10-23(11-13-24)16-17-2-4-18(20)5-3-17/h2-5H,6-16H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 42633289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).