methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate

C16H24N2O2 — CID 48558731

IUPACmethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)15(14(3)10-12)11-17-5-7-18(8-6-17)16(19)20-4/h9-10H,5-8,11H2,1-4H3
InChIKeyJBGXGYDLXSJHTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds2

About methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate

methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate (PubChem CID 48558731) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
PubChem CID48558731
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)15(14(3)10-12)11-17-5-7-18(8-6-17)16(19)20-4/h9-10H,5-8,11H2,1-4H3
InChIKeyJBGXGYDLXSJHTO-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 52916311
1-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]butan-1-one
CID 48558797
methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336479
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 91299559

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate (CID 48558731) is methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is JBGXGYDLXSJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(2)15(14(3)10-12)11-17-5-7-18(8-6-17)16(19)20-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate?
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 48558731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).