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

C15H22N2O2 — CID 113076313

IUPACmethyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(2)14(13(3)10-11)16-5-7-17(8-6-16)15(18)19-4/h9-10H,5-8H2,1-4H3
InChIKeyPTHUXNWCFQRIKV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.50
Rot. Bonds1

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

methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate (PubChem CID 113076313) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
PubChem CID113076313
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(2)14(13(3)10-11)16-5-7-17(8-6-16)15(18)19-4/h9-10H,5-8H2,1-4H3
InChIKeyPTHUXNWCFQRIKV-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113076318
methyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
CID 48558731
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
2-(4-methoxyphenyl)-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 113076293
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate (CID 113076313) is methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate?
The InChIKey is PTHUXNWCFQRIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(2)14(13(3)10-11)16-5-7-17(8-6-16)15(18)19-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate?
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.50, 1 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)piperazine-1-carboxylate is sourced from PubChem (CID 113076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).