1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol

C29H33N2O+ — CID 3592921

IUPAC1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH+]1CCCCC1
InChIInChI=1S/C29H32N2O/c1-22-15-16-27-26(19-22)28(23-11-5-2-6-12-23)29(24-13-7-3-8-14-24)31(27)21-25(32)20-30-17-9-4-10-18-30/h2-3,5-8,11-16,19,25,32H,4,9-10,17-18,20-21H2,1H3/p+1
InChIKeyWZRCQMGHRLAAPM-UHFFFAOYSA-O
MW425.60 g/mol
LogP4.71
Rot. Bonds6

About 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol

1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol (PubChem CID 3592921) has the molecular formula C29H33N2O+ and a molecular weight of 425.60 g/mol. Its IUPAC name is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol
PubChem CID3592921
Molecular FormulaC29H33N2O+
Molecular Weight425.60 g/mol
Exact Mass425.26
IUPAC Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH+]1CCCCC1
InChIInChI=1S/C29H32N2O/c1-22-15-16-27-26(19-22)28(23-11-5-2-6-12-23)29(24-13-7-3-8-14-24)31(27)21-25(32)20-30-17-9-4-10-18-30/h2-3,5-8,11-16,19,25,32H,4,9-10,17-18,20-21H2,1H3/p+1
InChIKeyWZRCQMGHRLAAPM-UHFFFAOYSA-O
XLogP4.71
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6958902
1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 4301414
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one
CID 4046155
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 6957406
1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 3453566
1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol
CID 4532861
(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol
CID 118246559
(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
CID 7354795
1-amino-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol;anisole
CID 174695166
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 3579043

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The IUPAC name of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol (CID 3592921) is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH+]1CCCCC1.
What is the InChIKey of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol?
The InChIKey is WZRCQMGHRLAAPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H32N2O/c1-22-15-16-27-26(19-22)28(23-11-5-2-6-12-23)29(24-13-7-3-8-14-24)31(27)21-25(32)20-30-17-9-4-10-18-30/h2-3,5-8,11-16,19,25,32H,4,9-10,17-18,20-21H2,1H3/p+1.
What are the key properties of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol?
1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol has a molecular weight of 425.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 3592921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).