(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol

C11H23NO3 — CID 172518164

IUPAC(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
SMILESCOC[C@H]1CN(C(C)(C)C)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO3/c1-11(2,3)12-5-8(7-15-4)10(14)9(13)6-12/h8-10,13-14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyWIXVHHRAUKRXSB-OPRDCNLKSA-N
MW217.31 g/mol
LogP0.08
Rot. Bonds2

About (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol

(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol (PubChem CID 172518164) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
PubChem CID172518164
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
SMILESCOC[C@H]1CN(C(C)(C)C)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO3/c1-11(2,3)12-5-8(7-15-4)10(14)9(13)6-12/h8-10,13-14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyWIXVHHRAUKRXSB-OPRDCNLKSA-N
XLogP0.08
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol (CID 172518164) is (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol is COC[C@H]1CN(C(C)(C)C)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol?
The InChIKey is WIXVHHRAUKRXSB-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)12-5-8(7-15-4)10(14)9(13)6-12/h8-10,13-14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1.
What are the key properties of (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol?
(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol has a molecular weight of 217.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 172518164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).