tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate

C20H31N3O3 — CID 24824159

IUPACtert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
SMILESCc1c(N2CCOCC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-16-17(6-5-7-18(16)22-12-14-25-15-13-22)21-8-10-23(11-9-21)19(24)26-20(2,3)4/h5-7H,8-15H2,1-4H3
InChIKeyNAVQQUGLTQAXOY-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate

tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate (PubChem CID 24824159) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
PubChem CID24824159
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
SMILESCc1c(N2CCOCC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-16-17(6-5-7-18(16)22-12-14-25-15-13-22)21-8-10-23(11-9-21)19(24)26-20(2,3)4/h5-7H,8-15H2,1-4H3
InChIKeyNAVQQUGLTQAXOY-UHFFFAOYSA-N
XLogP2.89
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)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 tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate (CID 24824159) is tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate is Cc1c(N2CCOCC2)cccc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate?
The InChIKey is NAVQQUGLTQAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16-17(6-5-7-18(16)22-12-14-25-15-13-22)21-8-10-23(11-9-21)19(24)26-20(2,3)4/h5-7H,8-15H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate?
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 24824159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).