1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol

C23H27NO2S — CID 66572164

IUPAC1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C23H27NO2S/c25-21(20-17-27-22-9-5-4-8-19(20)22)10-13-24-14-11-23(26,12-15-24)16-18-6-2-1-3-7-18/h1-9,17,21,25-26H,10-16H2
InChIKeySSEWYSOPUMSOTB-UHFFFAOYSA-N
MW381.54 g/mol
LogP4.39
Rot. Bonds6

About 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol

1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol (PubChem CID 66572164) has the molecular formula C23H27NO2S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol
PubChem CID66572164
Molecular FormulaC23H27NO2S
Molecular Weight381.54 g/mol
Exact Mass381.18
IUPAC Name1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C23H27NO2S/c25-21(20-17-27-22-9-5-4-8-19(20)22)10-13-24-14-11-23(26,12-15-24)16-18-6-2-1-3-7-18/h1-9,17,21,25-26H,10-16H2
InChIKeySSEWYSOPUMSOTB-UHFFFAOYSA-N
XLogP4.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tiemonium Iodide
CID 72142
3-Benzo[b]thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol
CID 10061123
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
CID 25167288
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-thiophen-2-yl-propan-1-ol
CID 44278407
4-Phenyl-1-(phenyl(thiophen-2-yl)methyl)piperidin-4-ol
CID 44426824
1-(1-Benzothiophen-2-ylmethyl)-4-phenylpiperidin-4-ol;oxalic acid
CID 49798832
1-(1-benzothiophen-2-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572162
1-(1-benzothiophen-3-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572393
1-(1-Benzothiophen-3-yl)-2-(dibenzylamino)ethan-1-ol--hydrogen chloride (1/1)
CID 23802
Tiemonium
CID 5473
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
CID 21045496
1-(1-Benzothien-3-yl)-2-(4-morpholinyl)ethanol
CID 23723140

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol?
The IUPAC name of 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol (CID 66572164) is 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol?
The canonical SMILES for 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol is OC(CCN1CCC(O)(Cc2ccccc2)CC1)c1csc2ccccc12.
What is the InChIKey of 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol?
The InChIKey is SSEWYSOPUMSOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2S/c25-21(20-17-27-22-9-5-4-8-19(20)22)10-13-24-14-11-23(26,12-15-24)16-18-6-2-1-3-7-18/h1-9,17,21,25-26H,10-16H2.
What are the key properties of 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol?
1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol has a molecular weight of 381.54 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]-4-benzylpiperidin-4-ol is sourced from PubChem (CID 66572164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).