ethyl 4-tritylpiperazine-1-carboxylate

C26H28N2O2 — CID 147686070

IUPACethyl 4-tritylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-2-30-25(29)27-18-20-28(21-19-27)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3
InChIKeyBUKBEDPFKSPBPP-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-tritylpiperazine-1-carboxylate

ethyl 4-tritylpiperazine-1-carboxylate (PubChem CID 147686070) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is ethyl 4-tritylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-tritylpiperazine-1-carboxylate
PubChem CID147686070
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nameethyl 4-tritylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-2-30-25(29)27-18-20-28(21-19-27)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3
InChIKeyBUKBEDPFKSPBPP-UHFFFAOYSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylethyl 4-tritylpiperazine-1-carboxylate
CID 130377790
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732
2-(2-butanoyloxyethyldisulfanyl)ethyl 4-tritylpiperazine-1-carboxylate
CID 153457501
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 1-propan-2-yl-4-tritylpiperazine-2-carboxylate
CID 10694513
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
4-O-(4,6-dimethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl) 1-O-[2-(4-tritylpiperazine-1-carbonyl)oxyethyl] butanedioate
CID 146321332
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tritylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-tritylpiperazine-1-carboxylate (CID 147686070) is ethyl 4-tritylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-tritylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-tritylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-tritylpiperazine-1-carboxylate?
The InChIKey is BUKBEDPFKSPBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-30-25(29)27-18-20-28(21-19-27)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,2,18-21H2,1H3.
What are the key properties of ethyl 4-tritylpiperazine-1-carboxylate?
ethyl 4-tritylpiperazine-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tritylpiperazine-1-carboxylate is sourced from PubChem (CID 147686070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).