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

C8H18NO+ — CID 7201099

IUPAC(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1O
InChIInChI=1S/C8H17NO/c1-6-5-9(3)7(2)4-8(6)10/h6-8,10H,4-5H2,1-3H3/p+1/t6-,7+,8-/m1/s1
InChIKeyZMPIXCGEZCZGGJ-GJMOJQLCSA-O
MW144.24 g/mol
LogP-0.71
Rot. Bonds

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

(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol (PubChem CID 7201099) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
PubChem CID7201099
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1O
InChIInChI=1S/C8H17NO/c1-6-5-9(3)7(2)4-8(6)10/h6-8,10H,4-5H2,1-3H3/p+1/t6-,7+,8-/m1/s1
InChIKeyZMPIXCGEZCZGGJ-GJMOJQLCSA-O
XLogP-0.71
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trimethylazetidin-1-ium
CID 163413657
1,2-dimethylaziridin-1-ium
CID 59383272
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
CID 23268682
2-methylpropyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7714562
[(2R,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2-chlorobenzoate
CID 7065935
benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7175875
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
CID 98394541
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
4-cycloprop-2-en-1-yl-2,5-dimethylcyclohexan-1-ol
CID 163493450

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol (CID 7201099) is (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol is C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1O.
What is the InChIKey of (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol?
The InChIKey is ZMPIXCGEZCZGGJ-GJMOJQLCSA-O. 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/p+1/t6-,7+,8-/m1/s1.
What are the key properties of (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol?
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol has a molecular weight of 144.24 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7201099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).