tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate

C14H28N2O4 — CID 126653266

IUPACtert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1
InChIInChI=1S/C14H28N2O4/c1-5-12(18)9-15-6-7-16(11(8-15)10-17)13(19)20-14(2,3)4/h11-12,17-18H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeySNZPNBQOOZFCNH-NWDGAFQWSA-N
MW288.39 g/mol
LogP0.67
Rot. Bonds4

About tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate

tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate (PubChem CID 126653266) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate
PubChem CID126653266
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1
InChIInChI=1S/C14H28N2O4/c1-5-12(18)9-15-6-7-16(11(8-15)10-17)13(19)20-14(2,3)4/h11-12,17-18H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeySNZPNBQOOZFCNH-NWDGAFQWSA-N
XLogP0.67
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl (2S)-2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]piperazine-1-carboxylate
CID 124861141
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 2-(hydroxymethyl)-4-prop-2-enoylpiperazine-1-carboxylate
CID 175251885
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperazine-2-carboxylic acid
CID 51440445
tert-butyl (3S)-3-(hydroxymethyl)-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 86706996
tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
CID 90703735
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-propylpyrrolidine-1-carboxylate
CID 11085987

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate (CID 126653266) is tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate is CC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1.
What is the InChIKey of tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate?
The InChIKey is SNZPNBQOOZFCNH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-12(18)9-15-6-7-16(11(8-15)10-17)13(19)20-14(2,3)4/h11-12,17-18H,5-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate?
tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 126653266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).