tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane

C23H40N2O3 — CID 142251604

IUPACtert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OCC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O3.C2H6/c1-20(2,3)25-16-18-15-22(14-17-10-8-7-9-11-17)12-13-23(18)19(24)26-21(4,5)6;1-2/h7-11,18H,12-16H2,1-6H3;1-2H3
InChIKeyNCWPLQRCOHYSLZ-UHFFFAOYSA-N
MW392.58 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane

tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane (PubChem CID 142251604) has the molecular formula C23H40N2O3 and a molecular weight of 392.58 g/mol. Its IUPAC name is tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
PubChem CID142251604
Molecular FormulaC23H40N2O3
Molecular Weight392.58 g/mol
Exact Mass392.30
IUPAC Nametert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OCC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O3.C2H6/c1-20(2,3)25-16-18-15-22(14-17-10-8-7-9-11-17)12-13-23(18)19(24)26-21(4,5)6;1-2/h7-11,18H,12-16H2,1-6H3;1-2H3
InChIKeyNCWPLQRCOHYSLZ-UHFFFAOYSA-N
XLogP4.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane with MolForge

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Related Compounds

azane;tert-butyl (2S)-4-benzyl-2-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 174583000
1-[(2S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]propane-2-sulfinic acid
CID 174582963
tert-butyl (2R)-4-benzyl-2-[[4-(trifluoromethylsulfonyloxy)phenyl]methyl]piperazine-1-carboxylate
CID 59324852
tert-butyl (2R)-4-benzyl-2-[(4-ethoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 59324913
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 97290469
tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine
CID 67752790
tert-butyl 4-benzyl-7-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 163245986
4-[[(3R)-3-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073056
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
2-methyl-2-[4-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]propanedioic acid
CID 68947115
(2R)-4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 51440451
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane (CID 142251604) is tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane is CC.CC(C)(C)OCC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane?
The InChIKey is NCWPLQRCOHYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3.C2H6/c1-20(2,3)25-16-18-15-22(14-17-10-8-7-9-11-17)12-13-23(18)19(24)26-21(4,5)6;1-2/h7-11,18H,12-16H2,1-6H3;1-2H3.
What are the key properties of tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane?
tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane has a molecular weight of 392.58 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane is sourced from PubChem (CID 142251604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).