benzyl 2,3-dimethylpiperazine-1-carboxylate

C14H20N2O2 — CID 66936127

IUPACbenzyl 2,3-dimethylpiperazine-1-carboxylate
SMILESCC1NCCN(C(=O)OCc2ccccc2)C1C
InChIInChI=1S/C14H20N2O2/c1-11-12(2)16(9-8-15-11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyWVPXQZVARHQBAG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About benzyl 2,3-dimethylpiperazine-1-carboxylate

benzyl 2,3-dimethylpiperazine-1-carboxylate (PubChem CID 66936127) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 2,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dimethylpiperazine-1-carboxylate
PubChem CID66936127
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 2,3-dimethylpiperazine-1-carboxylate
SMILESCC1NCCN(C(=O)OCc2ccccc2)C1C
InChIInChI=1S/C14H20N2O2/c1-11-12(2)16(9-8-15-11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyWVPXQZVARHQBAG-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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Related Compounds

benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl 5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
CID 140713534
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
CID 156517654
benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
CID 68500864
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl 3-(aminomethyl)-2-methylazetidine-1-carboxylate
CID 131028084

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of benzyl 2,3-dimethylpiperazine-1-carboxylate (CID 66936127) is benzyl 2,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 2,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 2,3-dimethylpiperazine-1-carboxylate is CC1NCCN(C(=O)OCc2ccccc2)C1C.
What is the InChIKey of benzyl 2,3-dimethylpiperazine-1-carboxylate?
The InChIKey is WVPXQZVARHQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-12(2)16(9-8-15-11)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 2,3-dimethylpiperazine-1-carboxylate?
benzyl 2,3-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 2,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 66936127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).