1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

C24H26FN3O2 — CID 21268311

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H26FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-6,9,12-13,16,18,26-27,29H,7-8,10-11,14-15H2
InChIKeyJMFIIULFXMMCLL-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.41
Rot. Bonds6

About 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 21268311) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID21268311
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H26FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-6,9,12-13,16,18,26-27,29H,7-8,10-11,14-15H2
InChIKeyJMFIIULFXMMCLL-UHFFFAOYSA-N
XLogP4.41
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57238471
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268352
(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
CID 70216330
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole
CID 10222964
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
CID 22372793
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (CID 21268311) is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is OC(COc1cccc2[nH]ccc12)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is JMFIIULFXMMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-6,9,12-13,16,18,26-27,29H,7-8,10-11,14-15H2.
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 407.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 21268311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).