benzyl 2,4-dimethylpiperazine-1-carboxylate

C14H20N2O2 — CID 110707785

IUPACbenzyl 2,4-dimethylpiperazine-1-carboxylate
SMILESCC1CN(C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)18-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDUWACZABYIANHO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds2

About benzyl 2,4-dimethylpiperazine-1-carboxylate

benzyl 2,4-dimethylpiperazine-1-carboxylate (PubChem CID 110707785) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 2,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,4-dimethylpiperazine-1-carboxylate
PubChem CID110707785
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 2,4-dimethylpiperazine-1-carboxylate
SMILESCC1CN(C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)18-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDUWACZABYIANHO-UHFFFAOYSA-N
XLogP1.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,4-dimethyl-1,4-diazepane-1-carboxylate
CID 130581143
benzyl 4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023009
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012
1-O-benzyl 2-O-ethyl (2S)-4-methylpiperazine-1,2-dicarboxylate
CID 141178625
benzyl (2S)-4-(2-chloroacetyl)-2-methylpiperazine-1-carboxylate
CID 96554961
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl (2R)-4-[(3-amino-2-fluorophenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 58919233
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl 4-bromo-2-methylpiperidine-1-carboxylate
CID 119029057
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415

Frequently Asked Questions

What is the IUPAC name of benzyl 2,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of benzyl 2,4-dimethylpiperazine-1-carboxylate (CID 110707785) is benzyl 2,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 2,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 2,4-dimethylpiperazine-1-carboxylate is CC1CN(C)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,4-dimethylpiperazine-1-carboxylate?
The InChIKey is DUWACZABYIANHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-10-15(2)8-9-16(12)14(17)18-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of benzyl 2,4-dimethylpiperazine-1-carboxylate?
benzyl 2,4-dimethylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 110707785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).