[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol

C23H27FN2OS — CID 118721193

IUPAC[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2
InChIKeyIVMJBDLZRRUJCW-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.16
Rot. Bonds7

About [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol

[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol (PubChem CID 118721193) has the molecular formula C23H27FN2OS and a molecular weight of 398.55 g/mol. Its IUPAC name is [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
PubChem CID118721193
Molecular FormulaC23H27FN2OS
Molecular Weight398.55 g/mol
Exact Mass398.18
IUPAC Name[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2
InChIKeyIVMJBDLZRRUJCW-UHFFFAOYSA-N
XLogP5.16
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indol-2-yl]-methanol
CID 22034361
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
CID 66906657
1-(4-Fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-ol
CID 24156283
2-ethyl-6-fluoro-3-[1-(3-phenylsulfanylpropyl)piperidin-4-yl]-1H-indole
CID 118721184
4-[3-[4-(2-ethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]propylsulfanyl]phenol
CID 118721186
[6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721190
6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
CID 118721191
3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
CID 118721194
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-6-ol
CID 118721196
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-ol
CID 12629950
[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol
CID 171342762
Hydroxytryptoline
CID 129777843

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol?
The IUPAC name of [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol (CID 118721193) is [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol?
The canonical SMILES for [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol is OCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1.
What is the InChIKey of [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol?
The InChIKey is IVMJBDLZRRUJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2.
What are the key properties of [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol?
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol has a molecular weight of 398.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol is sourced from PubChem (CID 118721193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).