benzyl 2-tert-butylpiperazine-1-carboxylate

C16H24N2O2 — CID 158296243

IUPACbenzyl 2-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)C1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-11-17-9-10-18(14)15(19)20-12-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyGWHSKRCOQHCEAO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds2

About benzyl 2-tert-butylpiperazine-1-carboxylate

benzyl 2-tert-butylpiperazine-1-carboxylate (PubChem CID 158296243) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl 2-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-tert-butylpiperazine-1-carboxylate
PubChem CID158296243
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl 2-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)C1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14-11-17-9-10-18(14)15(19)20-12-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyGWHSKRCOQHCEAO-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
benzyl (3aR,8aS)-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate
CID 67355838
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 135014037
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl (1S,6S)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate;benzyl (1R,6R)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 86222752

Frequently Asked Questions

What is the IUPAC name of benzyl 2-tert-butylpiperazine-1-carboxylate?
The IUPAC name of benzyl 2-tert-butylpiperazine-1-carboxylate (CID 158296243) is benzyl 2-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 2-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 2-tert-butylpiperazine-1-carboxylate is CC(C)(C)C1CNCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-tert-butylpiperazine-1-carboxylate?
The InChIKey is GWHSKRCOQHCEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)14-11-17-9-10-18(14)15(19)20-12-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of benzyl 2-tert-butylpiperazine-1-carboxylate?
benzyl 2-tert-butylpiperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 158296243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).