4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine

C13H21NS — CID 70894300

IUPAC4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCCC1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C13H21NS/c1-3-12-6-8-14(9-7-12)10-13-5-4-11(2)15-13/h4-5,12H,3,6-10H2,1-2H3
InChIKeyRIYQHIRUSXSZGE-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.68
Rot. Bonds3

About 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine

4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 70894300) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID70894300
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCCC1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C13H21NS/c1-3-12-6-8-14(9-7-12)10-13-5-4-11(2)15-13/h4-5,12H,3,6-10H2,1-2H3
InChIKeyRIYQHIRUSXSZGE-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 70894300) is 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine is CCC1CCN(Cc2ccc(C)s2)CC1.
What is the InChIKey of 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is RIYQHIRUSXSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-12-6-8-14(9-7-12)10-13-5-4-11(2)15-13/h4-5,12H,3,6-10H2,1-2H3.
What are the key properties of 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 223.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 70894300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).