ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate

C16H24N2O2 — CID 110393902

IUPACethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyAVWUSBUDCWJIRF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds3

About ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate

ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 110393902) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
PubChem CID110393902
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyAVWUSBUDCWJIRF-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
1-O-tert-butyl 3-O-methyl 4-benzyl-5-methylpiperazine-1,3-dicarboxylate
CID 171625967
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 110657689
ethyl 4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110290231
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
(3S,5S)-3,5-dimethyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 170434369

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate (CID 110393902) is ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate is CCOC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1.
What is the InChIKey of ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is AVWUSBUDCWJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3.
What are the key properties of ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate?
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 110393902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).