1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol

C22H26N2O2S — CID 11646648

IUPAC1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol
SMILESCOc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1
InChIInChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3
InChIKeyLIFHVPXIKLLTMH-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.38
Rot. Bonds5

About 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol

1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol (PubChem CID 11646648) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol
PubChem CID11646648
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol
SMILESCOc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1
InChIInChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3
InChIKeyLIFHVPXIKLLTMH-UHFFFAOYSA-N
XLogP4.38
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol?
The IUPAC name of 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol (CID 11646648) is 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol is COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1.
What is the InChIKey of 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol?
The InChIKey is LIFHVPXIKLLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3.
What are the key properties of 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol?
1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol has a molecular weight of 382.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol is sourced from PubChem (CID 11646648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).