tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate

C19H28N2O2 — CID 58767314

IUPACtert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate
SMILESC/C=C1\CN(Cc2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-6-17-14-20(13-16-10-8-7-9-11-16)15(2)12-21(17)18(22)23-19(3,4)5/h6-11,15H,12-14H2,1-5H3/b17-6+/t15-/m1/s1
InChIKeyJXIJZRUYAQLTLN-DGMYMGAOSA-N
MW316.45 g/mol
LogP4.03
Rot. Bonds2

About tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate

tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate (PubChem CID 58767314) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate
PubChem CID58767314
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate
SMILESC/C=C1\CN(Cc2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-6-17-14-20(13-16-10-8-7-9-11-16)15(2)12-21(17)18(22)23-19(3,4)5/h6-11,15H,12-14H2,1-5H3/b17-6+/t15-/m1/s1
InChIKeyJXIJZRUYAQLTLN-DGMYMGAOSA-N
XLogP4.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate (CID 58767314) is tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate is C/C=C1\CN(Cc2ccccc2)[C@H](C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate?
The InChIKey is JXIJZRUYAQLTLN-DGMYMGAOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-17-14-20(13-16-10-8-7-9-11-16)15(2)12-21(17)18(22)23-19(3,4)5/h6-11,15H,12-14H2,1-5H3/b17-6+/t15-/m1/s1.
What are the key properties of tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate?
tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methylpiperazine-1-carboxylate is sourced from PubChem (CID 58767314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).