5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine

C14H22N2S — CID 82382650

IUPAC5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCN1CCCc2sc(C3CCNCC3)cc2C1
InChIInChI=1S/C14H22N2S/c1-16-8-2-3-13-12(10-16)9-14(17-13)11-4-6-15-7-5-11/h9,11,15H,2-8,10H2,1H3
InChIKeyRSDIAEQANYHPBX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.59
Rot. Bonds1

About 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine

5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine (PubChem CID 82382650) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
PubChem CID82382650
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCN1CCCc2sc(C3CCNCC3)cc2C1
InChIInChI=1S/C14H22N2S/c1-16-8-2-3-13-12(10-16)9-14(17-13)11-4-6-15-7-5-11/h9,11,15H,2-8,10H2,1H3
InChIKeyRSDIAEQANYHPBX-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The IUPAC name of 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine (CID 82382650) is 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine is CN1CCCc2sc(C3CCNCC3)cc2C1.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The InChIKey is RSDIAEQANYHPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16-8-2-3-13-12(10-16)9-14(17-13)11-4-6-15-7-5-11/h9,11,15H,2-8,10H2,1H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine has a molecular weight of 250.41 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine is sourced from PubChem (CID 82382650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).