4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine

C17H23N3OS — CID 71978109

IUPAC4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine
SMILESc1cc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1
InChIInChI=1S/C17H23N3OS/c1-5-18-15-4-12-22-17(15)16(1)20-6-2-14(3-7-20)13-19-8-10-21-11-9-19/h1,4-5,12,14H,2-3,6-11,13H2
InChIKeyKMYZPRSTNIAZIN-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.84
Rot. Bonds3

About 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine

4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine (PubChem CID 71978109) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine
PubChem CID71978109
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine
SMILESc1cc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1
InChIInChI=1S/C17H23N3OS/c1-5-18-15-4-12-22-17(15)16(1)20-6-2-14(3-7-20)13-19-8-10-21-11-9-19/h1,4-5,12,14H,2-3,6-11,13H2
InChIKeyKMYZPRSTNIAZIN-UHFFFAOYSA-N
XLogP2.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine (CID 71978109) is 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine is c1cc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1.
What is the InChIKey of 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine?
The InChIKey is KMYZPRSTNIAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-18-15-4-12-22-17(15)16(1)20-6-2-14(3-7-20)13-19-8-10-21-11-9-19/h1,4-5,12,14H,2-3,6-11,13H2.
What are the key properties of 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine?
4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine has a molecular weight of 317.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine is sourced from PubChem (CID 71978109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).