methyl 2-(4-benzhydrylpiperazin-1-yl)acetate

C20H24N2O2 — CID 789874

IUPACmethyl 2-(4-benzhydrylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)16-21-12-14-22(15-13-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3
InChIKeyCAWIARGDQABCAC-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-(4-benzhydrylpiperazin-1-yl)acetate

methyl 2-(4-benzhydrylpiperazin-1-yl)acetate (PubChem CID 789874) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 2-(4-benzhydrylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-benzhydrylpiperazin-1-yl)acetate
PubChem CID789874
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl 2-(4-benzhydrylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)16-21-12-14-22(15-13-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3
InChIKeyCAWIARGDQABCAC-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-benzhydrylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-benzhydrylpiperazin-1-yl)acetate (CID 789874) is methyl 2-(4-benzhydrylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-benzhydrylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-benzhydrylpiperazin-1-yl)acetate is COC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-benzhydrylpiperazin-1-yl)acetate?
The InChIKey is CAWIARGDQABCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19(23)16-21-12-14-22(15-13-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3.
What are the key properties of methyl 2-(4-benzhydrylpiperazin-1-yl)acetate?
methyl 2-(4-benzhydrylpiperazin-1-yl)acetate has a molecular weight of 324.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-benzhydrylpiperazin-1-yl)acetate is sourced from PubChem (CID 789874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).