(3R)-3-(methoxymethyl)-1-tritylpiperazine

C25H28N2O — CID 172679720

IUPAC(3R)-3-(methoxymethyl)-1-tritylpiperazine
SMILESCOC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C25H28N2O/c1-28-20-24-19-27(18-17-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,26H,17-20H2,1H3/t24-/m1/s1
InChIKeyAFOIYASNFZACBU-XMMPIXPASA-N
MW372.51 g/mol
LogP3.90
Rot. Bonds6

About (3R)-3-(methoxymethyl)-1-tritylpiperazine

(3R)-3-(methoxymethyl)-1-tritylpiperazine (PubChem CID 172679720) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-1-tritylpiperazine.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-1-tritylpiperazine
PubChem CID172679720
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(3R)-3-(methoxymethyl)-1-tritylpiperazine
SMILESCOC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C25H28N2O/c1-28-20-24-19-27(18-17-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,26H,17-20H2,1H3/t24-/m1/s1
InChIKeyAFOIYASNFZACBU-XMMPIXPASA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-1-tritylpiperazine?
The IUPAC name of (3R)-3-(methoxymethyl)-1-tritylpiperazine (CID 172679720) is (3R)-3-(methoxymethyl)-1-tritylpiperazine.
What is the SMILES notation for (3R)-3-(methoxymethyl)-1-tritylpiperazine?
The canonical SMILES for (3R)-3-(methoxymethyl)-1-tritylpiperazine is COC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of (3R)-3-(methoxymethyl)-1-tritylpiperazine?
The InChIKey is AFOIYASNFZACBU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2O/c1-28-20-24-19-27(18-17-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,26H,17-20H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-1-tritylpiperazine?
(3R)-3-(methoxymethyl)-1-tritylpiperazine has a molecular weight of 372.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-1-tritylpiperazine is sourced from PubChem (CID 172679720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).