[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol

C24H26NO+ — CID 6978493

IUPAC[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1
InChIInChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2/p+1/t23-/m0/s1
InChIKeyAZOXPIPWRDWNBA-QHCPKHFHSA-O
MW344.48 g/mol
LogP3.17
Rot. Bonds5

About [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol

[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol (PubChem CID 6978493) has the molecular formula C24H26NO+ and a molecular weight of 344.48 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol
PubChem CID6978493
Molecular FormulaC24H26NO+
Molecular Weight344.48 g/mol
Exact Mass344.20
IUPAC Name[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1
InChIInChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2/p+1/t23-/m0/s1
InChIKeyAZOXPIPWRDWNBA-QHCPKHFHSA-O
XLogP3.17
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pipradrol
CID 10083
8-(Bis(2-methylphenyl)methyl)-3-phenyl-8-azabicyclo(3.2.1)octan-3-ol
CID 9887077
Diphenylprolinol
CID 204386
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
Pipradrol Hydrochloride
CID 66008
(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
CID 2724899
1-(1,2-Diphenylethyl)-4-phenylpiperidin-4-ol
CID 44426814
[2-(1-Dimethylamino-ethyl)-phenyl]-diphenyl-methanol
CID 2854401
4-(2-(Aminomethyl)phenyl)-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
CID 44430040
2-(Benzylamino)-1-(4-methylphenyl)-1-phenylethanol
CID 409246
8-Benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10155966

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol (CID 6978493) is [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
The InChIKey is AZOXPIPWRDWNBA-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2/p+1/t23-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol?
[(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol has a molecular weight of 344.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-1-ium-2-yl]-diphenylmethanol is sourced from PubChem (CID 6978493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).