1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol

C33H34N2O — CID 17028268

IUPAC1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCCN1CC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C33H34N2O/c1-24-12-10-11-21-34(24)22-28(36)23-35-32(27-16-6-3-7-17-27)31(26-14-4-2-5-15-26)30-20-19-25-13-8-9-18-29(25)33(30)35/h2-9,13-20,24,28,36H,10-12,21-23H2,1H3
InChIKeyJGADKEHTISWKSV-UHFFFAOYSA-N
MW474.65 g/mol
LogP7.36
Rot. Bonds6

About 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol

1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol (PubChem CID 17028268) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
PubChem CID17028268
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCCN1CC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C33H34N2O/c1-24-12-10-11-21-34(24)22-28(36)23-35-32(27-16-6-3-7-17-27)31(26-14-4-2-5-15-26)30-20-19-25-13-8-9-18-29(25)33(30)35/h2-9,13-20,24,28,36H,10-12,21-23H2,1H3
InChIKeyJGADKEHTISWKSV-UHFFFAOYSA-N
XLogP7.36
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
1-(dicyclohexylamino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol;oxalic acid
CID 163329973
1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 4117492
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 163330941
(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 35583248
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 163330945
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 21235184
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 124814286

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol (CID 17028268) is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol is CC1CCCCN1CC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is JGADKEHTISWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O/c1-24-12-10-11-21-34(24)22-28(36)23-35-32(27-16-6-3-7-17-27)31(26-14-4-2-5-15-26)30-20-19-25-13-8-9-18-29(25)33(30)35/h2-9,13-20,24,28,36H,10-12,21-23H2,1H3.
What are the key properties of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 474.65 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 17028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).