1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol

C26H27FN2O2S — CID 10366515

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol
SMILESO=S(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C26H27FN2O2S/c27-22-6-8-25-24(16-22)21(17-28-25)9-12-29-13-10-26(30,11-14-29)18-32(31)23-7-5-19-3-1-2-4-20(19)15-23/h1-8,15-17,28,30H,9-14,18H2
InChIKeyYPKSAFDKUNDMOL-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.64
Rot. Bonds6

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol (PubChem CID 10366515) has the molecular formula C26H27FN2O2S and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol
PubChem CID10366515
Molecular FormulaC26H27FN2O2S
Molecular Weight450.58 g/mol
Exact Mass450.18
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol
SMILESO=S(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C26H27FN2O2S/c27-22-6-8-25-24(16-22)21(17-28-25)9-12-29-13-10-26(30,11-14-29)18-32(31)23-7-5-19-3-1-2-4-20(19)15-23/h1-8,15-17,28,30H,9-14,18H2
InChIKeyYPKSAFDKUNDMOL-UHFFFAOYSA-N
XLogP4.64
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol
CID 10407490
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one
CID 101098379
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
1-benzyl-4-ethynyl-3-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-ol
CID 162755258
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
CID 170040522
1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
CID 141037036
4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol (CID 10366515) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol is O=S(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol?
The InChIKey is YPKSAFDKUNDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2S/c27-22-6-8-25-24(16-22)21(17-28-25)9-12-29-13-10-26(30,11-14-29)18-32(31)23-7-5-19-3-1-2-4-20(19)15-23/h1-8,15-17,28,30H,9-14,18H2.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol has a molecular weight of 450.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol is sourced from PubChem (CID 10366515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).