tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate

C17H24N2O2 — CID 174681084

IUPACtert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1C=Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-11-18-13-15(19)10-9-14-7-5-4-6-8-14/h4-10,15,18H,11-13H2,1-3H3/t15-/m0/s1
InChIKeyXJVBDZHDXFSVRT-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate

tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate (PubChem CID 174681084) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
PubChem CID174681084
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1C=Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-11-18-13-15(19)10-9-14-7-5-4-6-8-14/h4-10,15,18H,11-13H2,1-3H3/t15-/m0/s1
InChIKeyXJVBDZHDXFSVRT-HNNXBMFYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790
tert-butyl 2-(3-fluoro-4-phenylphenyl)piperazine-1-carboxylate
CID 174578129
tert-butyl (1R)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 134952659
tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid
CID 174852709
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl 2-[2-(3-chlorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 76800293
tert-butyl (2S)-2-[2-(3-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 90685358
tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
CID 146168111
tert-butyl 2-[2-[4-(bromomethyl)phenyl]ethenyl]pyrrolidine-1-carboxylate
CID 68765292
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate (CID 174681084) is tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC[C@@H]1C=Cc1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate?
The InChIKey is XJVBDZHDXFSVRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-11-18-13-15(19)10-9-14-7-5-4-6-8-14/h4-10,15,18H,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate?
tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate is sourced from PubChem (CID 174681084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).