4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol

C23H28N2O5 — CID 152625181

IUPAC4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
SMILESOc1ccc(OCC2CCN(CC(O)COOc3cccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C23H28N2O5/c26-18-4-6-20(7-5-18)28-15-17-9-12-25(13-10-17)14-19(27)16-29-30-23-3-1-2-22-21(23)8-11-24-22/h1-8,11,17,19,24,26-27H,9-10,12-16H2
InChIKeyZCJAMWCKPOJQNO-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.34
Rot. Bonds9

About 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol

4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol (PubChem CID 152625181) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol.

Molecular Properties

Compound Name4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
PubChem CID152625181
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
SMILESOc1ccc(OCC2CCN(CC(O)COOc3cccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C23H28N2O5/c26-18-4-6-20(7-5-18)28-15-17-9-12-25(13-10-17)14-19(27)16-29-30-23-3-1-2-22-21(23)8-11-24-22/h1-8,11,17,19,24,26-27H,9-10,12-16H2
InChIKeyZCJAMWCKPOJQNO-UHFFFAOYSA-N
XLogP3.34
TPSA87.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
(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
benzoic acid;1-[[2-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol
CID 21327281
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
CID 154004811
4-[2-hydroxy-3-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 20570842
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
bis[1-(4-benzylpiperidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-yl] oxalate
CID 57287339
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol?
The IUPAC name of 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol (CID 152625181) is 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol.
What is the SMILES notation for 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol?
The canonical SMILES for 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol is Oc1ccc(OCC2CCN(CC(O)COOc3cccc4[nH]ccc34)CC2)cc1.
What is the InChIKey of 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol?
The InChIKey is ZCJAMWCKPOJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c26-18-4-6-20(7-5-18)28-15-17-9-12-25(13-10-17)14-19(27)16-29-30-23-3-1-2-22-21(23)8-11-24-22/h1-8,11,17,19,24,26-27H,9-10,12-16H2.
What are the key properties of 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol?
4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol has a molecular weight of 412.49 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol is sourced from PubChem (CID 152625181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).