ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate

C16H30N2O5 — CID 69212205

IUPACditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1
InChIInChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)17-8-9-18(12(11-17)7-10-19)14(21)23-16(4,5)6/h12,19H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyVUZKEHBQEOADAS-LBPRGKRZSA-N
MW330.43 g/mol
LogP2.23
Rot. Bonds2

About ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate

ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate (PubChem CID 69212205) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
PubChem CID69212205
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nameditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1
InChIInChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)17-8-9-18(12(11-17)7-10-19)14(21)23-16(4,5)6/h12,19H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyVUZKEHBQEOADAS-LBPRGKRZSA-N
XLogP2.23
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxybutyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 69210456
tert-butyl 3-(2-hydroxyethyl)-4-methylsulfanylpiperazine-1-carboxylate
CID 144760428
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
ditert-butyl 2-(2-pyrrolidin-1-ylsulfonylethyl)piperazine-1,4-dicarboxylate
CID 22711412
tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
CID 171557754
ditert-butyl (2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylate
CID 59325118
tert-butyl (3S)-3-(hydroxymethyl)-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 86706996
tert-butyl 2-(hydroxymethyl)-4-prop-2-enoylpiperazine-1-carboxylate
CID 175251885
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate (CID 69212205) is ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1.
What is the InChIKey of ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate?
The InChIKey is VUZKEHBQEOADAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)17-8-9-18(12(11-17)7-10-19)14(21)23-16(4,5)6/h12,19H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate?
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate is sourced from PubChem (CID 69212205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).