tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate

C14H28N2O3 — CID 114518427

IUPACtert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
SMILESCCC(C)(O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-6-14(5,18)11-15-7-9-16(10-8-15)12(17)19-13(2,3)4/h18H,6-11H2,1-5H3
InChIKeyAINMIBQKSIQGJX-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate (PubChem CID 114518427) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
PubChem CID114518427
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
SMILESCCC(C)(O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-6-14(5,18)11-15-7-9-16(10-8-15)12(17)19-13(2,3)4/h18H,6-11H2,1-5H3
InChIKeyAINMIBQKSIQGJX-UHFFFAOYSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-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-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
CID 15718283
tert-butyl 4-(2,2,3,3,3-pentafluoropropyl)piperazine-1-carboxylate
CID 121294490
tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
CID 170976729
tert-butyl 4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carboxylate
CID 66696088
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-oxopropanoic acid
CID 139211169
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-oxopropanoic acid
CID 132771137
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl azetidine-1-carboxylate iodide
CID 86693715

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate (CID 114518427) is tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate is CCC(C)(O)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate?
The InChIKey is AINMIBQKSIQGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-14(5,18)11-15-7-9-16(10-8-15)12(17)19-13(2,3)4/h18H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate is sourced from PubChem (CID 114518427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).