(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol

C23H28N2O2 — CID 1180091

IUPAC(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-21-11-9-18(10-12-21)23-15-19-7-3-4-8-22(19)25(23)17-20(26)16-24-13-5-2-6-14-24/h3-4,7-12,15,20,26H,2,5-6,13-14,16-17H2,1H3/t20-/m0/s1
InChIKeyFSLBETMIUNCTHO-FQEVSTJZSA-N
MW364.49 g/mol
LogP4.16
Rot. Bonds6

About (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol

(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol (PubChem CID 1180091) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
PubChem CID1180091
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-21-11-9-18(10-12-21)23-15-19-7-3-4-8-22(19)25(23)17-20(26)16-24-13-5-2-6-14-24/h3-4,7-12,15,20,26H,2,5-6,13-14,16-17H2,1H3/t20-/m0/s1
InChIKeyFSLBETMIUNCTHO-FQEVSTJZSA-N
XLogP4.16
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 7064426
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51465176
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 101042918
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 159072190
1-[4-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 6482524

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol (CID 1180091) is (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol is COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCCC2)cc1.
What is the InChIKey of (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is FSLBETMIUNCTHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-21-11-9-18(10-12-21)23-15-19-7-3-4-8-22(19)25(23)17-20(26)16-24-13-5-2-6-14-24/h3-4,7-12,15,20,26H,2,5-6,13-14,16-17H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol?
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 364.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 1180091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).