tert-butyl 4-benzylpiperazine-1-carboxylate;methanol

C17H28N2O3 — CID 143725332

IUPACtert-butyl 4-benzylpiperazine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1.CO
InChIInChI=1S/C16H24N2O2.CH4O/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14;1-2/h4-8H,9-13H2,1-3H3;2H,1H3
InChIKeyGWRACRXCZQJOJU-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.35
Rot. Bonds2

About tert-butyl 4-benzylpiperazine-1-carboxylate;methanol

tert-butyl 4-benzylpiperazine-1-carboxylate;methanol (PubChem CID 143725332) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 4-benzylpiperazine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl 4-benzylpiperazine-1-carboxylate;methanol
PubChem CID143725332
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl 4-benzylpiperazine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1.CO
InChIInChI=1S/C16H24N2O2.CH4O/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14;1-2/h4-8H,9-13H2,1-3H3;2H,1H3
InChIKeyGWRACRXCZQJOJU-UHFFFAOYSA-N
XLogP2.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-benzylpiperazine-1-carboxylate;methanol 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-1,4-diazepane-1-carboxylate;ethane
CID 170594815
1-benzyl-4-(oxiran-2-ylmethyl)piperazine;tert-butyl 4-[[(2R)-oxiran-2-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[(2S)-oxiran-2-yl]methyl]piperazine-1-carboxylate
CID 162093715
tert-butyl 4-benzyl-6-oxo-1,4-diazepane-1-carboxylate
CID 170905720
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
CID 103616556
lithium;3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid;hydroxide;hydrate
CID 157103833
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843
ditert-butyl 7-[[4-[[2,4,4,6,6-pentakis[4-[[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7-triazonan-1-yl]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methyl]-1,4,7-triazonane-1,4-dicarboxylate
CID 71661502
[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
CID 42609723
tert-butyl 8-benzyl-1-oxa-4,8-diazacyclododecane-4-carboxylate
CID 174177335
(3R,4S)-1-benzyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolidine-3-carboxylic acid
CID 6559132
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzylpiperazine-1-carboxylate;methanol?
The IUPAC name of tert-butyl 4-benzylpiperazine-1-carboxylate;methanol (CID 143725332) is tert-butyl 4-benzylpiperazine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl 4-benzylpiperazine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl 4-benzylpiperazine-1-carboxylate;methanol is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1.CO.
What is the InChIKey of tert-butyl 4-benzylpiperazine-1-carboxylate;methanol?
The InChIKey is GWRACRXCZQJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.CH4O/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14;1-2/h4-8H,9-13H2,1-3H3;2H,1H3.
What are the key properties of tert-butyl 4-benzylpiperazine-1-carboxylate;methanol?
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol has a molecular weight of 308.42 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzylpiperazine-1-carboxylate;methanol is sourced from PubChem (CID 143725332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).