tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate

C16H24N2O2 — CID 63789383

IUPACtert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyFVCLNNARLLNMJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate

tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate (PubChem CID 63789383) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate
PubChem CID63789383
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyFVCLNNARLLNMJR-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate (CID 63789383) is tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)C(c2ccccc2)C1.
What is the InChIKey of tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate?
The InChIKey is FVCLNNARLLNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate?
tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-2-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 63789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).