tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

C13H25NO5 — CID 171843084

IUPACtert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(O)(C(C)(C)O)C1
InChIInChI=1S/C13H25NO5/c1-11(2,3)19-10(16)14-7-6-9(15)13(18,8-14)12(4,5)17/h9,15,17-18H,6-8H2,1-5H3
InChIKeyJHWSOARMUJZAKF-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.49
Rot. Bonds1

About tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate (PubChem CID 171843084) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
PubChem CID171843084
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nametert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(O)(C(C)(C)O)C1
InChIInChI=1S/C13H25NO5/c1-11(2,3)19-10(16)14-7-6-9(15)13(18,8-14)12(4,5)17/h9,15,17-18H,6-8H2,1-5H3
InChIKeyJHWSOARMUJZAKF-UHFFFAOYSA-N
XLogP0.49
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-hydroxy-3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate
CID 118798712
1-O-tert-butyl 3-O-methyl (3R)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylate
CID 170959152
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320031
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate (CID 171843084) is tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C(O)(C(C)(C)O)C1.
What is the InChIKey of tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The InChIKey is JHWSOARMUJZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-11(2,3)19-10(16)14-7-6-9(15)13(18,8-14)12(4,5)17/h9,15,17-18H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate has a molecular weight of 275.34 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171843084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).