ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C38H81N7O — CID 177203726

About ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 177203726) has the molecular formula C38H81N7O and a molecular weight of 652.11 g/mol. Its IUPAC name is ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

• Compound Name: ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
• PubChem CID: 177203726
• Molecular Formula: C38H81N7O
• Molecular Weight: 652.11 g/mol
• Exact Mass: 651.65
• IUPAC Name: ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
• SMILES: CC.CC(C)OCCN1CCN(CC2CCN(C(C)C)CC2)CC1.CCN1CCN(CC2CCN(CCN(C)C(C)C)CC2)CC1
• InChI: InChI=1S/C18H38N4.C18H37N3O.C2H6/c1-5-20-12-14-22(15-13-20)16-18-6-8-21(9-7-18)11-10-19(4)17(2)3;1-16(2)21-7-5-18(6-8-21)15-20-11-9-19(10-12-20)13-14-22-17(3)4;1-2/h17-18H,5-16H2,1-4H3;16-18H,5-15H2,1-4H3;1-2H3
• InChIKey: PVUGQJYJOPSYNT-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 31.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.11
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?

The IUPAC name of ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 177203726) is ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

What is the SMILES notation for ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?

The canonical SMILES for ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC.CC(C)OCCN1CCN(CC2CCN(C(C)C)CC2)CC1.CCN1CCN(CC2CCN(CCN(C)C(C)C)CC2)CC1.

What is the InChIKey of ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?

The InChIKey is PVUGQJYJOPSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4.C18H37N3O.C2H6/c1-5-20-12-14-22(15-13-20)16-18-6-8-21(9-7-18)11-10-19(4)17(2)3;1-16(2)21-7-5-18(6-8-21)15-20-11-9-19(10-12-20)13-14-22-17(3)4;1-2/h17-18H,5-16H2,1-4H3;16-18H,5-15H2,1-4H3;1-2H3.

What are the key properties of ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?

ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 652.11 g/mol, XLogP of 4.85, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]-N-methylpropan-2-amine;1-(2-propan-2-yloxyethyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 177203726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).