tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate

C15H30N2O3 — CID 64688531

IUPACtert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O3/c1-12(13(18)20-14(2,3)4)17-9-7-16(8-10-17)11-15(5,6)19/h12,19H,7-11H2,1-6H3
InChIKeyVBXLAPJZJHZTSL-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.11
Rot. Bonds4

About tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate

tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate (PubChem CID 64688531) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
PubChem CID64688531
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H30N2O3/c1-12(13(18)20-14(2,3)4)17-9-7-16(8-10-17)11-15(5,6)19/h12,19H,7-11H2,1-6H3
InChIKeyVBXLAPJZJHZTSL-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
3-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanoic acid
CID 82770780
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
CID 66338891
tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
CID 113415029
methyl 3-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79624818
4-[4-(2,2-dimethylpropyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 121300665

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate?
The IUPAC name of tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate (CID 64688531) is tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate?
The canonical SMILES for tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate is CC(C(=O)OC(C)(C)C)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate?
The InChIKey is VBXLAPJZJHZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(13(18)20-14(2,3)4)17-9-7-16(8-10-17)11-15(5,6)19/h12,19H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate?
tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate has a molecular weight of 286.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 64688531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).