tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate

C18H27N3O2 — CID 142109565

IUPACtert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate
SMILESC=Cc1c(NC)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-6-14-15(19-5)8-7-9-16(14)20-10-12-21(13-11-20)17(22)23-18(2,3)4/h6-9,19H,1,10-13H2,2-5H3
InChIKeyJCSFFFGXDJCFBW-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate

tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate (PubChem CID 142109565) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate
PubChem CID142109565
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate
SMILESC=Cc1c(NC)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-6-14-15(19-5)8-7-9-16(14)20-10-12-21(13-11-20)17(22)23-18(2,3)4/h6-9,19H,1,10-13H2,2-5H3
InChIKeyJCSFFFGXDJCFBW-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(ethylsulfonylamino)phenyl]piperazine-1-carboxylate
CID 69410613
tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
CID 171103346
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
CID 69420021
tert-butyl 4-(3-bromo-2-fluorophenyl)piperazine-1-carboxylate
CID 170163901
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate (CID 142109565) is tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate is C=Cc1c(NC)cccc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate?
The InChIKey is JCSFFFGXDJCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-6-14-15(19-5)8-7-9-16(14)20-10-12-21(13-11-20)17(22)23-18(2,3)4/h6-9,19H,1,10-13H2,2-5H3.
What are the key properties of tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 142109565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).