tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate

C12H23NO5 — CID 162402915

IUPACtert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H](O)CO)CC1
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-6-4-12(17,5-7-13)9(15)8-14/h9,14-15,17H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJEUDJPVDUWYAEM-SECBINFHSA-N
MW261.32 g/mol
LogP0.10
Rot. Bonds2

About tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 162402915) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID162402915
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)([C@H](O)CO)CC1
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-6-4-12(17,5-7-13)9(15)8-14/h9,14-15,17H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJEUDJPVDUWYAEM-SECBINFHSA-N
XLogP0.10
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate (CID 162402915) is tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)([C@H](O)CO)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is JEUDJPVDUWYAEM-SECBINFHSA-N. The full InChI is InChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-6-4-12(17,5-7-13)9(15)8-14/h9,14-15,17H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-1,2-dihydroxyethyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 162402915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).