1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine

C63H92N6O2S6 — CID 159469961

About 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine

1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine (PubChem CID 159469961) has the molecular formula C63H92N6O2S6 and a molecular weight of 1157.87 g/mol. Its IUPAC name is 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine.

Molecular Properties

• Compound Name: 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine
• PubChem CID: 159469961
• Molecular Formula: C63H92N6O2S6
• Molecular Weight: 1157.87 g/mol
• Exact Mass: 1156.56
• IUPAC Name: 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine
• SMILES: CN1CCN(C2CCCc3sccc32)CC1.OC1CCN(C2CCCc3sccc32)CC1.c1cc2c(s1)CCCC2N1CCCCC1.c1cc2c(s1)CCCC2N1CCOCC1.c1cc2c(s1)CCCC2N1CCSCC1
• InChI: InChI=1S/C13H20N2S.C13H19NOS.C13H19NS.C12H17NOS.C12H17NS2/c1-14-6-8-15(9-7-14)12-3-2-4-13-11(12)5-10-16-13;15-10-4-7-14(8-5-10)12-2-1-3-13-11(12)6-9-16-13;1-2-8-14(9-3-1)12-5-4-6-13-11(12)7-10-15-13;1-2-11(13-5-7-14-8-6-13)10-4-9-15-12(10)3-1;1-2-11(13-5-8-14-9-6-13)10-4-7-15-12(10)3-1/h5,10,12H,2-4,6-9H2,1H3;6,9-10,12,15H,1-5,7-8H2;7,10,12H,1-6,8-9H2;4,9,11H,1-3,5-8H2;4,7,11H,1-3,5-6,8-9H2
• InChIKey: LVRGTPQXYZORRZ-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 48.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.87
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine?

The IUPAC name of 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine (CID 159469961) is 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine.

What is the SMILES notation for 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine?

The canonical SMILES for 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine is CN1CCN(C2CCCc3sccc32)CC1.OC1CCN(C2CCCc3sccc32)CC1.c1cc2c(s1)CCCC2N1CCCCC1.c1cc2c(s1)CCCC2N1CCOCC1.c1cc2c(s1)CCCC2N1CCSCC1.

What is the InChIKey of 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine?

The InChIKey is LVRGTPQXYZORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S.C13H19NOS.C13H19NS.C12H17NOS.C12H17NS2/c1-14-6-8-15(9-7-14)12-3-2-4-13-11(12)5-10-16-13;15-10-4-7-14(8-5-10)12-2-1-3-13-11(12)6-9-16-13;1-2-8-14(9-3-1)12-5-4-6-13-11(12)7-10-15-13;1-2-11(13-5-7-14-8-6-13)10-4-9-15-12(10)3-1;1-2-11(13-5-8-14-9-6-13)10-4-7-15-12(10)3-1/h5,10,12H,2-4,6-9H2,1H3;6,9-10,12,15H,1-5,7-8H2;7,10,12H,1-6,8-9H2;4,9,11H,1-3,5-8H2;4,7,11H,1-3,5-6,8-9H2.

What are the key properties of 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine?

1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine has a molecular weight of 1157.87 g/mol, XLogP of 14.20, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine;1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol;4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiomorpholine is sourced from PubChem (CID 159469961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).