3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine

C16H24N2O2 — CID 65448257

IUPAC3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1CN(CC2COC(C)(c3ccccc3)O2)CCN1
InChIInChI=1S/C16H24N2O2/c1-13-10-18(9-8-17-13)11-15-12-19-16(2,20-15)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyJKNSPBZBVRBTKH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine

3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine (PubChem CID 65448257) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
PubChem CID65448257
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1CN(CC2COC(C)(c3ccccc3)O2)CCN1
InChIInChI=1S/C16H24N2O2/c1-13-10-18(9-8-17-13)11-15-12-19-16(2,20-15)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyJKNSPBZBVRBTKH-UHFFFAOYSA-N
XLogP1.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine (CID 65448257) is 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine is CC1CN(CC2COC(C)(c3ccccc3)O2)CCN1.
What is the InChIKey of 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The InChIKey is JKNSPBZBVRBTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-10-18(9-8-17-13)11-15-12-19-16(2,20-15)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine is sourced from PubChem (CID 65448257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).