4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine

C21H30FNS — CID 10291374

IUPAC4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine
SMILESCCCCC1CCN(CCCc2sc3ccc(F)cc3c2C)CC1
InChIInChI=1S/C21H30FNS/c1-3-4-6-17-10-13-23(14-11-17)12-5-7-20-16(2)19-15-18(22)8-9-21(19)24-20/h8-9,15,17H,3-7,10-14H2,1-2H3
InChIKeyAMXBNQWHVZZJTB-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.18
Rot. Bonds7

About 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine

4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine (PubChem CID 10291374) has the molecular formula C21H30FNS and a molecular weight of 347.54 g/mol. Its IUPAC name is 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine.

Molecular Properties

Compound Name4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine
PubChem CID10291374
Molecular FormulaC21H30FNS
Molecular Weight347.54 g/mol
Exact Mass347.21
IUPAC Name4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine
SMILESCCCCC1CCN(CCCc2sc3ccc(F)cc3c2C)CC1
InChIInChI=1S/C21H30FNS/c1-3-4-6-17-10-13-23(14-11-17)12-5-7-20-16(2)19-15-18(22)8-9-21(19)24-20/h8-9,15,17H,3-7,10-14H2,1-2H3
InChIKeyAMXBNQWHVZZJTB-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine?
The IUPAC name of 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine (CID 10291374) is 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine.
What is the SMILES notation for 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine?
The canonical SMILES for 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine is CCCCC1CCN(CCCc2sc3ccc(F)cc3c2C)CC1.
What is the InChIKey of 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine?
The InChIKey is AMXBNQWHVZZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNS/c1-3-4-6-17-10-13-23(14-11-17)12-5-7-20-16(2)19-15-18(22)8-9-21(19)24-20/h8-9,15,17H,3-7,10-14H2,1-2H3.
What are the key properties of 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine?
4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine has a molecular weight of 347.54 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)propyl]piperidine is sourced from PubChem (CID 10291374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).