methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate

C11H22N2O3 — CID 58311600

IUPACmethyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C)(C)C)CC1CO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14/h9,14H,5-8H2,1-4H3
InChIKeyHOIFBOHANUYTFJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds1

About methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate

methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate (PubChem CID 58311600) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
PubChem CID58311600
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C)(C)C)CC1CO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14/h9,14H,5-8H2,1-4H3
InChIKeyHOIFBOHANUYTFJ-UHFFFAOYSA-N
XLogP0.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
CID 53419941
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
methyl 2-(2,2-dimethylpropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 66731661
tert-butyl 2-(hydroxymethyl)-4-prop-2-enoylpiperazine-1-carboxylate
CID 175251885
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
1-[4-tert-butyl-2-(2,2,2-trifluoroethyl)piperazin-1-yl]prop-2-en-1-one
CID 155794372
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
CID 58334515
tert-butyl (2S)-4-[(2R)-2-hydroxybutyl]-2-(hydroxymethyl)piperazine-1-carboxylate
CID 126653266
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
tert-butyl (3S)-3-(hydroxymethyl)-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 86706996

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate (CID 58311600) is methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(C)(C)C)CC1CO.
What is the InChIKey of methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The InChIKey is HOIFBOHANUYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14/h9,14H,5-8H2,1-4H3.
What are the key properties of methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 58311600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).