4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol

C22H25BrN2O3 — CID 22867041

IUPAC4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H25BrN2O3/c23-17-6-4-16(5-7-17)22(27)9-12-25(13-10-22)14-18(26)15-28-21-3-1-2-20-19(21)8-11-24-20/h1-8,11,18,24,26-27H,9-10,12-15H2/t18-/m0/s1
InChIKeyOSMPMDFRYKAWPV-SFHVURJKSA-N
MW445.36 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol

4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol (PubChem CID 22867041) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
PubChem CID22867041
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C22H25BrN2O3/c23-17-6-4-16(5-7-17)22(27)9-12-25(13-10-22)14-18(26)15-28-21-3-1-2-20-19(21)8-11-24-20/h1-8,11,18,24,26-27H,9-10,12-15H2/t18-/m0/s1
InChIKeyOSMPMDFRYKAWPV-SFHVURJKSA-N
XLogP3.65
TPSA68.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-(6-propan-2-yloxynaphthalen-2-yl)piperidin-4-ol
CID 67573754
(2S)-1-(3,3-diphenylpyrrolidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-ol;oxalic acid
CID 131719694
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
CID 70216330
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
CID 3754056
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol
CID 167875689
(2R,4S)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidin-4-ol
CID 58760119
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020555

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol (CID 22867041) is 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol is O[C@H](COc1cccc2[nH]ccc12)CN1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol?
The InChIKey is OSMPMDFRYKAWPV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c23-17-6-4-16(5-7-17)22(27)9-12-25(13-10-22)14-18(26)15-28-21-3-1-2-20-19(21)8-11-24-20/h1-8,11,18,24,26-27H,9-10,12-15H2/t18-/m0/s1.
What are the key properties of 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol?
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol has a molecular weight of 445.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol is sourced from PubChem (CID 22867041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).