tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate

C19H30N2O2 — CID 97290469

IUPACtert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15(2)17-14-20(13-16-9-7-6-8-10-16)11-12-21(17)18(22)23-19(3,4)5/h6-10,15,17H,11-14H2,1-5H3/t17-/m1/s1
InChIKeyXFKIFDHXCLAUQA-QGZVFWFLSA-N
MW318.46 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate

tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate (PubChem CID 97290469) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
PubChem CID97290469
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15(2)17-14-20(13-16-9-7-6-8-10-16)11-12-21(17)18(22)23-19(3,4)5/h6-10,15,17H,11-14H2,1-5H3/t17-/m1/s1
InChIKeyXFKIFDHXCLAUQA-QGZVFWFLSA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
CID 142251604
1-[(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]propane-2-sulfinic acid
CID 174582963
tert-butyl 4-benzyl-7-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 163245986
azane;tert-butyl (2S)-4-benzyl-2-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 174583000
tert-butyl (3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 124563064
3-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073033
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine
CID 67752790
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843
(2R)-4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 51440451
(2S)-4-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 51440471
(2R)-4-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 51440493

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate (CID 97290469) is tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate is CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XFKIFDHXCLAUQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)17-14-20(13-16-9-7-6-8-10-16)11-12-21(17)18(22)23-19(3,4)5/h6-10,15,17H,11-14H2,1-5H3/t17-/m1/s1.
What are the key properties of tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate?
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 97290469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).