[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate

C20H21FN2O2S — CID 142158688

IUPAC[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate
SMILESCN1CCC(c2c[nH]c3ccc(OS(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C20H21FN2O2S/c1-23-10-8-14(9-11-23)19-13-22-20-7-4-16(12-18(19)20)25-26(24)17-5-2-15(21)3-6-17/h2-7,12-14,22H,8-11H2,1H3
InChIKeyPSBCLGACXDHNPG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.22
Rot. Bonds4

About [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate

[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate (PubChem CID 142158688) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate.

Molecular Properties

Compound Name[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate
PubChem CID142158688
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate
SMILESCN1CCC(c2c[nH]c3ccc(OS(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C20H21FN2O2S/c1-23-10-8-14(9-11-23)19-13-22-20-7-4-16(12-18(19)20)25-26(24)17-5-2-15(21)3-6-17/h2-7,12-14,22H,8-11H2,1H3
InChIKeyPSBCLGACXDHNPG-UHFFFAOYSA-N
XLogP4.22
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15871195
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
CID 15341740
6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12041811
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate?
The IUPAC name of [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate (CID 142158688) is [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate.
What is the SMILES notation for [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate?
The canonical SMILES for [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate is CN1CCC(c2c[nH]c3ccc(OS(=O)c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate?
The InChIKey is PSBCLGACXDHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-23-10-8-14(9-11-23)19-13-22-20-7-4-16(12-18(19)20)25-26(24)17-5-2-15(21)3-6-17/h2-7,12-14,22H,8-11H2,1H3.
What are the key properties of [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate?
[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate has a molecular weight of 372.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-fluorobenzenesulfinate is sourced from PubChem (CID 142158688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).