tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate

C14H28N2O3 — CID 15718283

IUPACtert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
SMILESCC(C)(CO)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h17H,6-11H2,1-5H3
InChIKeyPVYTWSGJNRVCBE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate

tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate (PubChem CID 15718283) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
PubChem CID15718283
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
SMILESCC(C)(CO)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h17H,6-11H2,1-5H3
InChIKeyPVYTWSGJNRVCBE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carboxylate
CID 66696088
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(2,2,3,3,3-pentafluoropropyl)piperazine-1-carboxylate
CID 121294490
tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
CID 114518427
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
(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 azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate (CID 15718283) is tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate is CC(C)(CO)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate?
The InChIKey is PVYTWSGJNRVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-15(7-9-16)10-14(4,5)11-17/h17H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 15718283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).