tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate

C12H24N2O3 — CID 155215367

IUPACtert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)CC(CO)N1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-9(7-15)13-12(4,5)8-14/h9,13,15H,6-8H2,1-5H3
InChIKeyVIIOTKVLYVCSPD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds1

About tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate

tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate (PubChem CID 155215367) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate
PubChem CID155215367
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)CC(CO)N1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-9(7-15)13-12(4,5)8-14/h9,13,15H,6-8H2,1-5H3
InChIKeyVIIOTKVLYVCSPD-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 170756961
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 6,6-difluoro-2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
CID 175205474
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317
tert-butyl (3R,4R)-3-(hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
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tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl (3R)-3-fluoro-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 138112305
tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate (CID 155215367) is tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate is CC1(C)CN(C(=O)OC(C)(C)C)CC(CO)N1.
What is the InChIKey of tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate?
The InChIKey is VIIOTKVLYVCSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-9(7-15)13-12(4,5)8-14/h9,13,15H,6-8H2,1-5H3.
What are the key properties of tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate?
tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 155215367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).