[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol

C16H26NO2+ — CID 6938156

IUPAC[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
SMILESCOc1cc(C)c(C[NH+]2CCCC[C@@H]2CO)cc1C
InChIInChI=1S/C16H25NO2/c1-12-9-16(19-3)13(2)8-14(12)10-17-7-5-4-6-15(17)11-18/h8-9,15,18H,4-7,10-11H2,1-3H3/p+1/t15-/m1/s1
InChIKeyKDZAROCPKYHUQS-OAHLLOKOSA-O
MW264.39 g/mol
LogP1.24
Rot. Bonds4

About [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol

[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol (PubChem CID 6938156) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
PubChem CID6938156
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
SMILESCOc1cc(C)c(C[NH+]2CCCC[C@@H]2CO)cc1C
InChIInChI=1S/C16H25NO2/c1-12-9-16(19-3)13(2)8-14(12)10-17-7-5-4-6-15(17)11-18/h8-9,15,18H,4-7,10-11H2,1-3H3/p+1/t15-/m1/s1
InChIKeyKDZAROCPKYHUQS-OAHLLOKOSA-O
XLogP1.24
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 6942698
(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 7377989
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
CID 98017163
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
(1R,5S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162629099
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45235277
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
1-hept-3-ynyl-4-methoxy-2,5-dimethylbenzene
CID 83927830
4-cycloheptyl-4-(2,5-dimethoxy-4-methylphenyl)butanal
CID 57157289
[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
CID 6347155
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The IUPAC name of [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol (CID 6938156) is [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol is COc1cc(C)c(C[NH+]2CCCC[C@@H]2CO)cc1C.
What is the InChIKey of [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The InChIKey is KDZAROCPKYHUQS-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H25NO2/c1-12-9-16(19-3)13(2)8-14(12)10-17-7-5-4-6-15(17)11-18/h8-9,15,18H,4-7,10-11H2,1-3H3/p+1/t15-/m1/s1.
What are the key properties of [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol has a molecular weight of 264.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol is sourced from PubChem (CID 6938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).