[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol

C18H22NO+ — CID 6950265

IUPAC[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol
SMILESC[NH+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/p+1/t17-/m1/s1
InChIKeyXIJAGFLYYNXCAB-QGZVFWFLSA-O
MW268.38 g/mol
LogP1.60
Rot. Bonds3

About [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol

[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol (PubChem CID 6950265) has the molecular formula C18H22NO+ and a molecular weight of 268.38 g/mol. Its IUPAC name is [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol
PubChem CID6950265
Molecular FormulaC18H22NO+
Molecular Weight268.38 g/mol
Exact Mass268.17
IUPAC Name[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol
SMILESC[NH+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/p+1/t17-/m1/s1
InChIKeyXIJAGFLYYNXCAB-QGZVFWFLSA-O
XLogP1.60
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4919
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alpha-((Cyclohexylamino)methyl)benzenemethanol
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Diphenylprolinol
CID 204386
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
CID 66875589
2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol bromide
CID 69058945
4-(2-Methyl-pyrrolidin-1-yl)-1,1-diphenyl-but-2-yn-1-ol
CID 16682316
Pipradrol Hydrochloride
CID 66008
3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The IUPAC name of [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol (CID 6950265) is [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The canonical SMILES for [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol is C[NH+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The InChIKey is XIJAGFLYYNXCAB-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/p+1/t17-/m1/s1.
What are the key properties of [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
[(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol has a molecular weight of 268.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol is sourced from PubChem (CID 6950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).