5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H19Cl2N3S — CID 138989017

IUPAC5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1cnc(N2CCC(N3CCc4sccc4C3)CC2)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3S/c18-13-9-15(19)17(20-10-13)21-5-1-14(2-6-21)22-7-3-16-12(11-22)4-8-23-16/h4,8-10,14H,1-3,5-7,11H2
InChIKeyJPPFLYPEBPJMMU-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.48
Rot. Bonds2

About 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 138989017) has the molecular formula C17H19Cl2N3S and a molecular weight of 368.33 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID138989017
Molecular FormulaC17H19Cl2N3S
Molecular Weight368.33 g/mol
Exact Mass367.07
IUPAC Name5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1cnc(N2CCC(N3CCc4sccc4C3)CC2)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3S/c18-13-9-15(19)17(20-10-13)21-5-1-14(2-6-21)22-7-3-16-12(11-22)4-8-23-16/h4,8-10,14H,1-3,5-7,11H2
InChIKeyJPPFLYPEBPJMMU-UHFFFAOYSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 138989017) is 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)c(Cl)c1.
What is the InChIKey of 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JPPFLYPEBPJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3S/c18-13-9-15(19)17(20-10-13)21-5-1-14(2-6-21)22-7-3-16-12(11-22)4-8-23-16/h4,8-10,14H,1-3,5-7,11H2.
What are the key properties of 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 368.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 138989017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).