3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

C20H20FNOS — CID 18793408

IUPAC3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3sccc3c2)cc1
InChIInChI=1S/C20H20FNOS/c21-17-4-2-15(3-5-17)18-7-9-22-12-19(18)23-13-14-1-6-20-16(11-14)8-10-24-20/h1-6,8,10-11,18-19,22H,7,9,12-13H2
InChIKeyBDZHYPOERSUMDS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.70
Rot. Bonds4

About 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine

3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (PubChem CID 18793408) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
PubChem CID18793408
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2OCc2ccc3sccc3c2)cc1
InChIInChI=1S/C20H20FNOS/c21-17-4-2-15(3-5-17)18-7-9-22-12-19(18)23-13-14-1-6-20-16(11-14)8-10-24-20/h1-6,8,10-11,18-19,22H,7,9,12-13H2
InChIKeyBDZHYPOERSUMDS-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-Benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidin-1-yl] tert-butyl carbonate
CID 17909559
4-(4-Fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine
CID 22126891
3-(1-Benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 22128623
Tert-butyl 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 54546695
2-(1-Benzothiophen-3-yl)-4-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-methylbut-1-en-1-one
CID 87261822
2-(1-Benzothiophen-3-yl)-4-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]but-1-en-1-one
CID 87261898
2-(1-Benzothiophen-3-yl)-5-[1-[2-[(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethoxy]ethyl]piperazin-1-ium-1-yl]pent-1-en-1-one;hydrochloride
CID 87291424
2-(1-Benzothiophen-3-yl)-5-[1-[2-[(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethoxy]ethyl]piperazin-1-ium-1-yl]pent-1-en-1-one
CID 87291425
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]piperidine;thiophene
CID 88478015
1-(1-Benzothiophen-3-yl)-4-[1-[2-[(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethoxy]ethyl]piperazin-1-ium-1-yl]butan-1-ol;hydrochloride
CID 117964588
Benzyl 4-[[[2-(1-benzothiophen-5-yl)cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453596
benzyl 4-[[[(1R,2S)-2-(1-benzothiophen-5-yl)cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 138504142

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The IUPAC name of 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine (CID 18793408) is 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCNCC2OCc2ccc3sccc3c2)cc1.
What is the InChIKey of 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
The InChIKey is BDZHYPOERSUMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c21-17-4-2-15(3-5-17)18-7-9-22-12-19(18)23-13-14-1-6-20-16(11-14)8-10-24-20/h1-6,8,10-11,18-19,22H,7,9,12-13H2.
What are the key properties of 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine?
3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine has a molecular weight of 341.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 18793408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).