(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol

C12H25NO2 — CID 155933610

IUPAC(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol
SMILESCC(C)N1C(C)(C)C[C@@H](O)[C@H](O)C1(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)13-11(3,4)7-9(14)10(15)12(13,5)6/h8-10,14-15H,7H2,1-6H3/t9-,10+/m1/s1
InChIKeyUEXVKNMLPVCOBD-ZJUUUORDSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds1

About (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol

(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol (PubChem CID 155933610) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol
PubChem CID155933610
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol
SMILESCC(C)N1C(C)(C)C[C@@H](O)[C@H](O)C1(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)13-11(3,4)7-9(14)10(15)12(13,5)6/h8-10,14-15H,7H2,1-6H3/t9-,10+/m1/s1
InChIKeyUEXVKNMLPVCOBD-ZJUUUORDSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol?
The IUPAC name of (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol (CID 155933610) is (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol is CC(C)N1C(C)(C)C[C@@H](O)[C@H](O)C1(C)C.
What is the InChIKey of (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol?
The InChIKey is UEXVKNMLPVCOBD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)13-11(3,4)7-9(14)10(15)12(13,5)6/h8-10,14-15H,7H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol?
(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol has a molecular weight of 215.34 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol is sourced from PubChem (CID 155933610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).