3-benzyl-4-(5-ethylthiophen-2-yl)piperidine

C18H23NS — CID 79320981

IUPAC3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
SMILESCCc1ccc(C2CCNCC2Cc2ccccc2)s1
InChIInChI=1S/C18H23NS/c1-2-16-8-9-18(20-16)17-10-11-19-13-15(17)12-14-6-4-3-5-7-14/h3-9,15,17,19H,2,10-13H2,1H3
InChIKeySXPUDPYIXBQGNA-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.25
Rot. Bonds4

About 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine

3-benzyl-4-(5-ethylthiophen-2-yl)piperidine (PubChem CID 79320981) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
PubChem CID79320981
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
SMILESCCc1ccc(C2CCNCC2Cc2ccccc2)s1
InChIInChI=1S/C18H23NS/c1-2-16-8-9-18(20-16)17-10-11-19-13-15(17)12-14-6-4-3-5-7-14/h3-9,15,17,19H,2,10-13H2,1H3
InChIKeySXPUDPYIXBQGNA-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-(4-bromo-5-methylthiophen-2-yl)piperidine
CID 102845451
3-cyclopentyl-4-(5-ethylthiophen-2-yl)piperidine
CID 112570856
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
3-benzyl-4-(2,3-dichlorophenyl)piperidine
CID 79310596
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
3-benzyl-4-(1-propylpyrazol-4-yl)piperidine
CID 103573550
3-ethyl-4-phenylpiperidine
CID 56828112
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-ethyl-4-thiophen-2-ylpiperidine
CID 79320840
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
CID 110129635

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine?
The IUPAC name of 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine (CID 79320981) is 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine.
What is the SMILES notation for 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine?
The canonical SMILES for 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine is CCc1ccc(C2CCNCC2Cc2ccccc2)s1.
What is the InChIKey of 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine?
The InChIKey is SXPUDPYIXBQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-16-8-9-18(20-16)17-10-11-19-13-15(17)12-14-6-4-3-5-7-14/h3-9,15,17,19H,2,10-13H2,1H3.
What are the key properties of 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine?
3-benzyl-4-(5-ethylthiophen-2-yl)piperidine has a molecular weight of 285.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(5-ethylthiophen-2-yl)piperidine is sourced from PubChem (CID 79320981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).