3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine

C17H27NS — CID 10707699

IUPAC3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
SMILESCC1CCCN(C2(c3cccs3)CCCCC2C)C1
InChIInChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3
InChIKeyBBFINCSTQNQPET-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.89
Rot. Bonds2

About 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine

3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine (PubChem CID 10707699) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
PubChem CID10707699
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
SMILESCC1CCCN(C2(c3cccs3)CCCCC2C)C1
InChIInChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3
InChIKeyBBFINCSTQNQPET-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine?
The IUPAC name of 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine (CID 10707699) is 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine.
What is the SMILES notation for 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine?
The canonical SMILES for 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine is CC1CCCN(C2(c3cccs3)CCCCC2C)C1.
What is the InChIKey of 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine?
The InChIKey is BBFINCSTQNQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine?
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine has a molecular weight of 277.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine is sourced from PubChem (CID 10707699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).