1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol

C45H87N9O3 — CID 67898778

IUPAC1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol
SMILESCCC(O)N1C(C)(C)CC(N(CC)c2nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H87N9O3/c1-19-34(55)52-40(7,8)25-31(26-41(52,9)10)49(22-4)37-46-38(50(23-5)32-27-42(11,12)53(35(56)20-2)43(13,14)28-32)48-39(47-37)51(24-6)33-29-44(15,16)54(36(57)21-3)45(17,18)30-33/h31-36,55-57H,19-30H2,1-18H3
InChIKeyAIEQOVGDQPABKC-UHFFFAOYSA-N
MW802.25 g/mol
LogP7.60
Rot. Bonds15

About 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol

1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol (PubChem CID 67898778) has the molecular formula C45H87N9O3 and a molecular weight of 802.25 g/mol. Its IUPAC name is 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol
PubChem CID67898778
Molecular FormulaC45H87N9O3
Molecular Weight802.25 g/mol
Exact Mass801.69
IUPAC Name1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol
SMILESCCC(O)N1C(C)(C)CC(N(CC)c2nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H87N9O3/c1-19-34(55)52-40(7,8)25-31(26-41(52,9)10)49(22-4)37-46-38(50(23-5)32-27-42(11,12)53(35(56)20-2)43(13,14)28-32)48-39(47-37)51(24-6)33-29-44(15,16)54(36(57)21-3)45(17,18)30-33/h31-36,55-57H,19-30H2,1-18H3
InChIKeyAIEQOVGDQPABKC-UHFFFAOYSA-N
XLogP7.60
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.25
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol?
The IUPAC name of 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol (CID 67898778) is 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol is CCC(O)N1C(C)(C)CC(N(CC)c2nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)nc(N(CC)C3CC(C)(C)N(C(O)CC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol?
The InChIKey is AIEQOVGDQPABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H87N9O3/c1-19-34(55)52-40(7,8)25-31(26-41(52,9)10)49(22-4)37-46-38(50(23-5)32-27-42(11,12)53(35(56)20-2)43(13,14)28-32)48-39(47-37)51(24-6)33-29-44(15,16)54(36(57)21-3)45(17,18)30-33/h31-36,55-57H,19-30H2,1-18H3.
What are the key properties of 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol?
1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol has a molecular weight of 802.25 g/mol, XLogP of 7.60, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4,6-bis[ethyl-[1-(1-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-ethylamino]-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-ol is sourced from PubChem (CID 67898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).