4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine

C15H24ClNS — CID 123919332

IUPAC4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine
SMILESCCC(C)(C)c1cc(Cl)sc1C1(C)CCNCC1
InChIInChI=1S/C15H24ClNS/c1-5-14(2,3)11-10-12(16)18-13(11)15(4)6-8-17-9-7-15/h10,17H,5-9H2,1-4H3
InChIKeyYRHMQKMCSDLSKO-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.73
Rot. Bonds3

About 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine

4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine (PubChem CID 123919332) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine
PubChem CID123919332
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine
SMILESCCC(C)(C)c1cc(Cl)sc1C1(C)CCNCC1
InChIInChI=1S/C15H24ClNS/c1-5-14(2,3)11-10-12(16)18-13(11)15(4)6-8-17-9-7-15/h10,17H,5-9H2,1-4H3
InChIKeyYRHMQKMCSDLSKO-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine?
The IUPAC name of 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine (CID 123919332) is 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine?
The canonical SMILES for 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine is CCC(C)(C)c1cc(Cl)sc1C1(C)CCNCC1.
What is the InChIKey of 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine?
The InChIKey is YRHMQKMCSDLSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-5-14(2,3)11-10-12(16)18-13(11)15(4)6-8-17-9-7-15/h10,17H,5-9H2,1-4H3.
What are the key properties of 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine?
4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine has a molecular weight of 285.88 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-(2-methylbutan-2-yl)thiophen-2-yl]-4-methylpiperidine is sourced from PubChem (CID 123919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).