tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate

C21H34N2O2 — CID 129258263

IUPACtert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN(c2ccc(C(C)(C)C)cc2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-15-13-22(18-11-9-17(10-12-18)20(3,4)5)14-16(2)23(15)19(24)25-21(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyKPYQIYVNTVDQJO-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.82
Rot. Bonds1

About tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate

tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 129258263) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID129258263
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Nametert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN(c2ccc(C(C)(C)C)cc2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-15-13-22(18-11-9-17(10-12-18)20(3,4)5)14-16(2)23(15)19(24)25-21(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyKPYQIYVNTVDQJO-UHFFFAOYSA-N
XLogP4.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-amino-3-hydroxyphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 156708851
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide
CID 129258257
tert-butyl (2S,6R)-2,6-dimethyl-4-(2-methylpyrimidin-5-yl)piperazine-1-carboxylate
CID 156524124
1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone
CID 129268486
tert-butyl (2R,6S)-4-(3-ethenylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 169082437
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164
(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine
CID 129258358
tert-butyl (2R,6R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-dimethylpiperazine-1-carboxylate
CID 178178923
tert-butyl (2S,6R)-4-[4-(aminomethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168933658
tert-butyl (3aR,6aS)-2-[4-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130187356
[(2S,6R)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 129268299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate (CID 129258263) is tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate is CC1CN(c2ccc(C(C)(C)C)cc2)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is KPYQIYVNTVDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-15-13-22(18-11-9-17(10-12-18)20(3,4)5)14-16(2)23(15)19(24)25-21(6,7)8/h9-12,15-16H,13-14H2,1-8H3.
What are the key properties of tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 346.52 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 129258263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).