3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine

C13H21NS — CID 58547257

IUPAC3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine
SMILESCc1csc(C2CCCN(C(C)C)C2)c1
InChIInChI=1S/C13H21NS/c1-10(2)14-6-4-5-12(8-14)13-7-11(3)9-15-13/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyWHEVVFYXYWSKJH-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.64
Rot. Bonds2

About 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine

3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine (PubChem CID 58547257) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine
PubChem CID58547257
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine
SMILESCc1csc(C2CCCN(C(C)C)C2)c1
InChIInChI=1S/C13H21NS/c1-10(2)14-6-4-5-12(8-14)13-7-11(3)9-15-13/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyWHEVVFYXYWSKJH-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine (CID 58547257) is 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine is Cc1csc(C2CCCN(C(C)C)C2)c1.
What is the InChIKey of 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is WHEVVFYXYWSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)14-6-4-5-12(8-14)13-7-11(3)9-15-13/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine?
3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 223.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 58547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).