(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol

C8H17NO — CID 98394541

IUPAC(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@H](O)[C@@H](C)CN1C
InChIInChI=1S/C8H17NO/c1-6-5-9(3)7(2)4-8(6)10/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyZMPIXCGEZCZGGJ-XLPZGREQSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds

About (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol

(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol (PubChem CID 98394541) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
PubChem CID98394541
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
SMILESC[C@@H]1C[C@@H](O)[C@@H](C)CN1C
InChIInChI=1S/C8H17NO/c1-6-5-9(3)7(2)4-8(6)10/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyZMPIXCGEZCZGGJ-XLPZGREQSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol (CID 98394541) is (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol is C[C@@H]1C[C@@H](O)[C@@H](C)CN1C.
What is the InChIKey of (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is ZMPIXCGEZCZGGJ-XLPZGREQSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-5-9(3)7(2)4-8(6)10/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol?
(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 98394541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).