1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine

C23H29NO2S — CID 3030469

IUPAC1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(CCOc2cccc3c2SCCC3)CC1
InChIInChI=1S/C23H29NO2S/c1-25-21-9-3-2-8-20(21)18-11-13-24(14-12-18)15-16-26-22-10-4-6-19-7-5-17-27-23(19)22/h2-4,6,8-10,18H,5,7,11-17H2,1H3
InChIKeyJZHNOCXFHWIJCW-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.99
Rot. Bonds6

About 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine

1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine (PubChem CID 3030469) has the molecular formula C23H29NO2S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine
PubChem CID3030469
Molecular FormulaC23H29NO2S
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(CCOc2cccc3c2SCCC3)CC1
InChIInChI=1S/C23H29NO2S/c1-25-21-9-3-2-8-20(21)18-11-13-24(14-12-18)15-16-26-22-10-4-6-19-7-5-17-27-23(19)22/h2-4,6,8-10,18H,5,7,11-17H2,1H3
InChIKeyJZHNOCXFHWIJCW-UHFFFAOYSA-N
XLogP4.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine (CID 3030469) is 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(CCOc2cccc3c2SCCC3)CC1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine?
The InChIKey is JZHNOCXFHWIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2S/c1-25-21-9-3-2-8-20(21)18-11-13-24(14-12-18)15-16-26-22-10-4-6-19-7-5-17-27-23(19)22/h2-4,6,8-10,18H,5,7,11-17H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine?
1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine has a molecular weight of 383.56 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 3030469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).