4-thiophen-3-ylpiperidine

C9H13NS — CID 19847314

IUPAC4-thiophen-3-ylpiperidine
SMILESc1cc(C2CCNCC2)cs1
InChIInChI=1S/C9H13NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10H,1-2,4-5H2
InChIKeyKTOGEYCNOXECIU-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.22
Rot. Bonds1

About 4-thiophen-3-ylpiperidine

4-thiophen-3-ylpiperidine (PubChem CID 19847314) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name4-thiophen-3-ylpiperidine
PubChem CID19847314
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-thiophen-3-ylpiperidine
SMILESc1cc(C2CCNCC2)cs1
InChIInChI=1S/C9H13NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10H,1-2,4-5H2
InChIKeyKTOGEYCNOXECIU-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylpiperidine?
The IUPAC name of 4-thiophen-3-ylpiperidine (CID 19847314) is 4-thiophen-3-ylpiperidine.
What is the SMILES notation for 4-thiophen-3-ylpiperidine?
The canonical SMILES for 4-thiophen-3-ylpiperidine is c1cc(C2CCNCC2)cs1.
What is the InChIKey of 4-thiophen-3-ylpiperidine?
The InChIKey is KTOGEYCNOXECIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10H,1-2,4-5H2.
What are the key properties of 4-thiophen-3-ylpiperidine?
4-thiophen-3-ylpiperidine has a molecular weight of 167.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylpiperidine is sourced from PubChem (CID 19847314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).