2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C114H208N18O8 — CID 19090216

About 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090216) has the molecular formula C114H208N18O8 and a molecular weight of 1959.04 g/mol. Its IUPAC name is 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090216
• Molecular Formula: C114H208N18O8
• Molecular Weight: 1959.04 g/mol
• Exact Mass: 1957.64
• IUPAC Name: 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCC(Nc1nc(N(CCCCCCN(c2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(N(COC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(COC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C114H208N18O8/c1-29-53-95(83-69-103(3,4)127(104(5,6)70-83)135-89-55-39-33-40-56-89)115-97-117-99(121-101(119-97)125(81-133-27)87-77-111(19,20)131(112(21,22)78-87)139-93-63-47-37-48-64-93)123(85-73-107(11,12)129(108(13,14)74-85)137-91-59-43-35-44-60-91)67-51-31-32-52-68-124(86-75-109(15,16)130(110(17,18)76-86)138-92-61-45-36-46-62-92)100-118-98(116-96(54-30-2)84-71-105(7,8)128(106(9,10)72-84)136-90-57-41-34-42-58-90)120-102(122-100)126(82-134-28)88-79-113(23,24)132(114(25,26)80-88)140-94-65-49-38-50-66-94/h83-96H,29-82H2,1-28H3,(H,115,117,119,121)(H,116,118,120,122)
• InChIKey: LYOXPARRTMPPTO-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 207.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1959.04
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19090216) is 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(N(CCCCCCN(c2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(N(COC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(COC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

What is the InChIKey of 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is LYOXPARRTMPPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H208N18O8/c1-29-53-95(83-69-103(3,4)127(104(5,6)70-83)135-89-55-39-33-40-56-89)115-97-117-99(121-101(119-97)125(81-133-27)87-77-111(19,20)131(112(21,22)78-87)139-93-63-47-37-48-64-93)123(85-73-107(11,12)129(108(13,14)74-85)137-91-59-43-35-44-60-91)67-51-31-32-52-68-124(86-75-109(15,16)130(110(17,18)76-86)138-92-61-45-36-46-62-92)100-118-98(116-96(54-30-2)84-71-105(7,8)128(106(9,10)72-84)136-90-57-41-34-42-58-90)120-102(122-100)126(82-134-28)88-79-113(23,24)132(114(25,26)80-88)140-94-65-49-38-50-66-94/h83-96H,29-82H2,1-28H3,(H,115,117,119,121)(H,116,118,120,122).

What are the key properties of 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1959.04 g/mol, XLogP of 26.12, 41 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).