2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine

C17H26N2O2 — CID 64980499

IUPAC2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1CN(CC2COC(C)(c3ccccc3)O2)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-13-10-19(14(2)9-18-13)11-16-12-20-17(3,21-16)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyHMLLIERHKDOSFI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds3

About 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine

2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine (PubChem CID 64980499) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
PubChem CID64980499
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
SMILESCC1CN(CC2COC(C)(c3ccccc3)O2)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-13-10-19(14(2)9-18-13)11-16-12-20-17(3,21-16)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyHMLLIERHKDOSFI-UHFFFAOYSA-N
XLogP1.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine (CID 64980499) is 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine is CC1CN(CC2COC(C)(c3ccccc3)O2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
The InChIKey is HMLLIERHKDOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-10-19(14(2)9-18-13)11-16-12-20-17(3,21-16)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine?
2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine is sourced from PubChem (CID 64980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).