1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol

C24H26FN3O2 — CID 22372793

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
SMILESCC(O)C(Oc1cccc2[nH]ccc12)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN3O2/c1-15(29)24(30-23-4-2-3-21-19(23)7-10-26-21)28-11-8-16(9-12-28)20-14-27-22-13-17(25)5-6-18(20)22/h2-7,10,13-16,24,26-27,29H,8-9,11-12H2,1H3
InChIKeyLWHOMKRZYHWERJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 22372793) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
PubChem CID22372793
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
SMILESCC(O)C(Oc1cccc2[nH]ccc12)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN3O2/c1-15(29)24(30-23-4-2-3-21-19(23)7-10-26-21)28-11-8-16(9-12-28)20-14-27-22-13-17(25)5-6-18(20)22/h2-7,10,13-16,24,26-27,29H,8-9,11-12H2,1H3
InChIKeyLWHOMKRZYHWERJ-UHFFFAOYSA-N
XLogP4.75
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol with MolForge

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Related Compounds

(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
CID 142627626
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole
CID 10222964
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
N-[(3-fluorophenyl)methyl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpropanamide
CID 42931732
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol (CID 22372793) is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol is CC(O)C(Oc1cccc2[nH]ccc12)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is LWHOMKRZYHWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-15(29)24(30-23-4-2-3-21-19(23)7-10-26-21)28-11-8-16(9-12-28)20-14-27-22-13-17(25)5-6-18(20)22/h2-7,10,13-16,24,26-27,29H,8-9,11-12H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol?
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 407.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 22372793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).