benzyl 2,6-dimethylpiperazine-1-carboxylate

C14H20N2O2 — CID 22219856

IUPACbenzyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyJYWBTFDJVRKRBZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About benzyl 2,6-dimethylpiperazine-1-carboxylate

benzyl 2,6-dimethylpiperazine-1-carboxylate (PubChem CID 22219856) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,6-dimethylpiperazine-1-carboxylate
PubChem CID22219856
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyJYWBTFDJVRKRBZ-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of benzyl 2,6-dimethylpiperazine-1-carboxylate (CID 22219856) is benzyl 2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 2,6-dimethylpiperazine-1-carboxylate is CC1CNCC(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is JYWBTFDJVRKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3.
What are the key properties of benzyl 2,6-dimethylpiperazine-1-carboxylate?
benzyl 2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 22219856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).