methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

C13H18N2O3 — CID 1246650

IUPACmethyl 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H18N2O3/c1-17-12-5-3-11(4-6-12)14-7-9-15(10-8-14)13(16)18-2/h3-6H,7-10H2,1-2H3
InChIKeyNLMPZFCRMNVSFA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.58
Rot. Bonds2

About methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 1246650) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)piperazine-1-carboxylate
PubChem CID1246650
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H18N2O3/c1-17-12-5-3-11(4-6-12)14-7-9-15(10-8-14)13(16)18-2/h3-6H,7-10H2,1-2H3
InChIKeyNLMPZFCRMNVSFA-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 4-(4-methoxyphenyl)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 methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate (CID 1246650) is methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is NLMPZFCRMNVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-5-3-11(4-6-12)14-7-9-15(10-8-14)13(16)18-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate?
methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 1246650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).