tert-butyl 4-benzylpiperazine-1-carboxylate

C16H24N2O2 — CID 584330

IUPACtert-butyl 4-benzylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyGVHSMUYEAWMYLM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl 4-benzylpiperazine-1-carboxylate

tert-butyl 4-benzylpiperazine-1-carboxylate (PubChem CID 584330) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 4-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzylpiperazine-1-carboxylate
PubChem CID584330
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 4-benzylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyGVHSMUYEAWMYLM-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzylpiperazine-1-carboxylate (CID 584330) is tert-butyl 4-benzylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-benzylpiperazine-1-carboxylate?
The InChIKey is GVHSMUYEAWMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-benzylpiperazine-1-carboxylate?
tert-butyl 4-benzylpiperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 584330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).