2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C22H39N5O2S — CID 45221443

About 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45221443) has the molecular formula C22H39N5O2S and a molecular weight of 437.65 g/mol. Its IUPAC name is 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
• PubChem CID: 45221443
• Molecular Formula: C22H39N5O2S
• Molecular Weight: 437.65 g/mol
• Exact Mass: 437.28
• IUPAC Name: 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
• SMILES: CC(C)N1CCC(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2CCO)CC1
• InChI: InChI=1S/C22H39N5O2S/c1-18(2)25-6-3-19(4-7-25)27-9-8-24(16-20(27)5-12-28)17-21-15-23-22(30-21)26-10-13-29-14-11-26/h15,18-20,28H,3-14,16-17H2,1-2H3
• InChIKey: KJBNKBGVOTYFML-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 55.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.65
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45221443) is 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The canonical SMILES for 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2CCO)CC1.

What is the InChIKey of 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The InChIKey is KJBNKBGVOTYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O2S/c1-18(2)25-6-3-19(4-7-25)27-9-8-24(16-20(27)5-12-28)17-21-15-23-22(30-21)26-10-13-29-14-11-26/h15,18-20,28H,3-14,16-17H2,1-2H3.

What are the key properties of 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 437.65 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45221443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).