tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride

C10H21ClN2O3 — CID 45072229

IUPACtert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CO.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13;/h8,11,13H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyKCBRHMIIEHQCOI-DDWIOCJRSA-N
MW252.74 g/mol
LogP0.61
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride

tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 45072229) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
PubChem CID45072229
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CO.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13;/h8,11,13H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyKCBRHMIIEHQCOI-DDWIOCJRSA-N
XLogP0.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
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tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
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(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
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CID 156743978
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
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tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
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CID 101126129

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride (CID 45072229) is tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCNC[C@@H]1CO.Cl.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is KCBRHMIIEHQCOI-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13;/h8,11,13H,4-7H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride?
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 45072229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).