(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol

C17H28NO+ — CID 11911053

IUPAC(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol
SMILESCc1cc(C)c([C@]2(O)C[C@@H](C)[NH+](C)C[C@@H]2C)c(C)c1
InChIInChI=1S/C17H27NO/c1-11-7-12(2)16(13(3)8-11)17(19)9-15(5)18(6)10-14(17)4/h7-8,14-15,19H,9-10H2,1-6H3/p+1/t14-,15+,17-/m0/s1
InChIKeyOCNITLGAMZJUSH-UXLLHSPISA-O
MW262.42 g/mol
LogP1.74
Rot. Bonds1

About (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol

(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol (PubChem CID 11911053) has the molecular formula C17H28NO+ and a molecular weight of 262.42 g/mol. Its IUPAC name is (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol
PubChem CID11911053
Molecular FormulaC17H28NO+
Molecular Weight262.42 g/mol
Exact Mass262.22
IUPAC Name(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol
SMILESCc1cc(C)c([C@]2(O)C[C@@H](C)[NH+](C)C[C@@H]2C)c(C)c1
InChIInChI=1S/C17H27NO/c1-11-7-12(2)16(13(3)8-11)17(19)9-15(5)18(6)10-14(17)4/h7-8,14-15,19H,9-10H2,1-6H3/p+1/t14-,15+,17-/m0/s1
InChIKeyOCNITLGAMZJUSH-UXLLHSPISA-O
XLogP1.74
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S,5S)-4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7007075
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
CID 106880467
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
CID 79838530
1-(2,6-difluoro-3-methylphenyl)-2-methylcyclopropan-1-ol
CID 82815611
2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 106663682
3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
CID 106880466
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 106679636
1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol
CID 79996418
(2R,4R,5R)-4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7319652

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol?
The IUPAC name of (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol (CID 11911053) is (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol.
What is the SMILES notation for (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol?
The canonical SMILES for (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol is Cc1cc(C)c([C@]2(O)C[C@@H](C)[NH+](C)C[C@@H]2C)c(C)c1.
What is the InChIKey of (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol?
The InChIKey is OCNITLGAMZJUSH-UXLLHSPISA-O. The full InChI is InChI=1S/C17H27NO/c1-11-7-12(2)16(13(3)8-11)17(19)9-15(5)18(6)10-14(17)4/h7-8,14-15,19H,9-10H2,1-6H3/p+1/t14-,15+,17-/m0/s1.
What are the key properties of (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol?
(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol has a molecular weight of 262.42 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 11911053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).