2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol

C20H22N2O — CID 90929620

IUPAC2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol
SMILESCc1cccc2c(O)n(C3CCN(Cc4ccccc4)C3)cc12
InChIInChI=1S/C20H22N2O/c1-15-6-5-9-18-19(15)14-22(20(18)23)17-10-11-21(13-17)12-16-7-3-2-4-8-16/h2-9,14,17,23H,10-13H2,1H3
InChIKeyQTEDJHKEKDOYTL-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.10
Rot. Bonds3

About 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol

2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol (PubChem CID 90929620) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol
PubChem CID90929620
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol
SMILESCc1cccc2c(O)n(C3CCN(Cc4ccccc4)C3)cc12
InChIInChI=1S/C20H22N2O/c1-15-6-5-9-18-19(15)14-22(20(18)23)17-10-11-21(13-17)12-16-7-3-2-4-8-16/h2-9,14,17,23H,10-13H2,1H3
InChIKeyQTEDJHKEKDOYTL-UHFFFAOYSA-N
XLogP4.10
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-ethylindole
CID 135053599
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-benzyl-3-propan-2-ylpiperidin-4-ol
CID 23003711
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
CID 67312130
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
CID 23157106

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol (CID 90929620) is 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol is Cc1cccc2c(O)n(C3CCN(Cc4ccccc4)C3)cc12.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol?
The InChIKey is QTEDJHKEKDOYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-6-5-9-18-19(15)14-22(20(18)23)17-10-11-21(13-17)12-16-7-3-2-4-8-16/h2-9,14,17,23H,10-13H2,1H3.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol?
2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol has a molecular weight of 306.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol is sourced from PubChem (CID 90929620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).