(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol

C11H23NO — CID 1415630

IUPAC(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1
InChIKeyRZYKQDZCONDGMW-BBBLOLIVSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds

About (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol

(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol (PubChem CID 1415630) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol
PubChem CID1415630
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1
InChIKeyRZYKQDZCONDGMW-BBBLOLIVSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5301330
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CID 12689964
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CID 44271512
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CID 44368231
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CID 3972739
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CID 2850399
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol?
The IUPAC name of (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol (CID 1415630) is (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol.
What is the SMILES notation for (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol?
The canonical SMILES for (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol is C[C@@H]1C[C@H](O)[C@@H](C)N(C(C)(C)C)C1.
What is the InChIKey of (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol?
The InChIKey is RZYKQDZCONDGMW-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol?
(2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-1-tert-butyl-2,5-dimethylpiperidin-3-ol is sourced from PubChem (CID 1415630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).