1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol

C25H33N3O2S — CID 166658549

IUPAC1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2ccc(SNCCCc3c[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C25H33N3O2S/c29-21-12-16-28(17-13-21)15-4-18-30-22-8-10-23(11-9-22)31-27-14-3-5-20-19-26-25-7-2-1-6-24(20)25/h1-2,6-11,19,21,26-27,29H,3-5,12-18H2
InChIKeyFNUSIFAZDCTBMH-UHFFFAOYSA-N
MW439.63 g/mol
LogP4.62
Rot. Bonds11

About 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol

1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol (PubChem CID 166658549) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol
PubChem CID166658549
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2ccc(SNCCCc3c[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C25H33N3O2S/c29-21-12-16-28(17-13-21)15-4-18-30-22-8-10-23(11-9-22)31-27-14-3-5-20-19-26-25-7-2-1-6-24(20)25/h1-2,6-11,19,21,26-27,29H,3-5,12-18H2
InChIKeyFNUSIFAZDCTBMH-UHFFFAOYSA-N
XLogP4.62
TPSA60.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-N-[4-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]sulfanylpropan-1-amine
CID 166658603
3-(5-chloro-1H-indol-3-yl)-N-[4-[3-(4-chloropiperidin-1-yl)propoxy]phenyl]sulfanylpropan-1-amine
CID 166658512
N-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]sulfanyl-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 166658478
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
CID 86678034
3-(5-fluoro-1H-indol-3-yl)-N-[4-(3-piperidin-4-ylpropoxy)phenyl]sulfanylpropan-1-amine
CID 166658598
1-[4-[3-(5-chloro-1H-indol-3-yl)propylamino]sulfanylphenoxy]-3-piperazin-1-ylpropan-2-ol
CID 166658504
3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 17434228
3-(5-chloro-1H-indol-3-yl)-N-[4-(4-piperidin-1-ylbutyl)phenyl]sulfanylpropan-1-amine
CID 166658492
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-(5-chloro-1H-indol-3-yl)-N-[4-[4-(4-methylpiperazin-1-yl)butyl]phenyl]sulfanylpropan-1-amine
CID 166658624
1-(1-butylpiperidin-4-yl)-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine;hydroiodide
CID 111984656
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol (CID 166658549) is 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol is OC1CCN(CCCOc2ccc(SNCCCc3c[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol?
The InChIKey is FNUSIFAZDCTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2S/c29-21-12-16-28(17-13-21)15-4-18-30-22-8-10-23(11-9-22)31-27-14-3-5-20-19-26-25-7-2-1-6-24(20)25/h1-2,6-11,19,21,26-27,29H,3-5,12-18H2.
What are the key properties of 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol?
1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol has a molecular weight of 439.63 g/mol, XLogP of 4.62, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(1H-indol-3-yl)propylamino]sulfanylphenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 166658549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).