1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine

C13H19NOS — CID 53238279

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine
SMILESc1cc2c(s1)CCOC2CN1CCCCC1
InChIInChI=1S/C13H19NOS/c1-2-6-14(7-3-1)10-12-11-5-9-16-13(11)4-8-15-12/h5,9,12H,1-4,6-8,10H2
InChIKeyGFOKNGXIDIRXKL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.85
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine

1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine (PubChem CID 53238279) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine
PubChem CID53238279
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine
SMILESc1cc2c(s1)CCOC2CN1CCCCC1
InChIInChI=1S/C13H19NOS/c1-2-6-14(7-3-1)10-12-11-5-9-16-13(11)4-8-15-12/h5,9,12H,1-4,6-8,10H2
InChIKeyGFOKNGXIDIRXKL-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine (CID 53238279) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine is c1cc2c(s1)CCOC2CN1CCCCC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine?
The InChIKey is GFOKNGXIDIRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-6-14(7-3-1)10-12-11-5-9-16-13(11)4-8-15-12/h5,9,12H,1-4,6-8,10H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine?
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine has a molecular weight of 237.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine is sourced from PubChem (CID 53238279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).