(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol

C11H23NO — CID 11889808

IUPAC(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
SMILESC[C@@H]1[C@H](C)CN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-8-6-12(11(3,4)5)7-10(13)9(8)2/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1
InChIKeyKETAXHHUZQPWSZ-BBBLOLIVSA-N
MW185.31 g/mol
LogP1.73
Rot. Bonds

About (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol

(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol (PubChem CID 11889808) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
PubChem CID11889808
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
SMILESC[C@@H]1[C@H](C)CN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-8-6-12(11(3,4)5)7-10(13)9(8)2/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1
InChIKeyKETAXHHUZQPWSZ-BBBLOLIVSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol?
The IUPAC name of (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol (CID 11889808) is (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol.
What is the SMILES notation for (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol?
The canonical SMILES for (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol is C[C@@H]1[C@H](C)CN(C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol?
The InChIKey is KETAXHHUZQPWSZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-6-12(11(3,4)5)7-10(13)9(8)2/h8-10,13H,6-7H2,1-5H3/t8-,9-,10+/m1/s1.
What are the key properties of (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol?
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol is sourced from PubChem (CID 11889808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).