N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine

C36H73N7O — CID 176679245

About N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine

N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine (PubChem CID 176679245) has the molecular formula C36H73N7O and a molecular weight of 620.03 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine.

Molecular Properties

• Compound Name: N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine
• PubChem CID: 176679245
• Molecular Formula: C36H73N7O
• Molecular Weight: 620.03 g/mol
• Exact Mass: 619.59
• IUPAC Name: N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine
• SMILES: CCN(C)CCN1CCC(CN2CCN(C(C)CCC(C)OCCN3CCN(CC4CCN(C(C)C)CC4)CC3)CC2)CC1
• InChI: InChI=1S/C36H73N7O/c1-7-37(6)18-19-38-14-10-35(11-15-38)30-41-24-26-43(27-25-41)33(4)8-9-34(5)44-29-28-39-20-22-40(23-21-39)31-36-12-16-42(17-13-36)32(2)3/h32-36H,7-31H2,1-6H3
• InChIKey: YXNXDEJTKVRDQF-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 31.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.03
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine?

The IUPAC name of N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine (CID 176679245) is N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine.

What is the SMILES notation for N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine?

The canonical SMILES for N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine is CCN(C)CCN1CCC(CN2CCN(C(C)CCC(C)OCCN3CCN(CC4CCN(C(C)C)CC4)CC3)CC2)CC1.

What is the InChIKey of N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine?

The InChIKey is YXNXDEJTKVRDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73N7O/c1-7-37(6)18-19-38-14-10-35(11-15-38)30-41-24-26-43(27-25-41)33(4)8-9-34(5)44-29-28-39-20-22-40(23-21-39)31-36-12-16-42(17-13-36)32(2)3/h32-36H,7-31H2,1-6H3.

What are the key properties of N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine?

N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine has a molecular weight of 620.03 g/mol, XLogP of 3.58, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-methyl-2-[4-[[4-[5-[2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethoxy]hexan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 176679245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).