3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol

C44H81N7O3 — CID 164974144

IUPAC3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol
SMILESCCCCN(c1nc(CCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C44H81N7O3/c1-11-13-27-48(34-30-41(3,4)50(42(5,6)31-34)53-36-22-17-15-18-23-36)39-45-38(26-21-29-52)46-40(47-39)49(28-14-12-2)35-32-43(7,8)51(44(9,10)33-35)54-37-24-19-16-20-25-37/h34-37,52H,11-33H2,1-10H3
InChIKeyGSPGQRRCVLUBPL-UHFFFAOYSA-N
MW756.18 g/mol
LogP9.58
Rot. Bonds17

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

3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol (PubChem CID 164974144) has the molecular formula C44H81N7O3 and a molecular weight of 756.18 g/mol. Its IUPAC name is 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol
PubChem CID164974144
Molecular FormulaC44H81N7O3
Molecular Weight756.18 g/mol
Exact Mass755.64
IUPAC Name3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol
SMILESCCCCN(c1nc(CCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C44H81N7O3/c1-11-13-27-48(34-30-41(3,4)50(42(5,6)31-34)53-36-22-17-15-18-23-36)39-45-38(26-21-29-52)46-40(47-39)49(28-14-12-2)35-32-43(7,8)51(44(9,10)33-35)54-37-24-19-16-20-25-37/h34-37,52H,11-33H2,1-10H3
InChIKeyGSPGQRRCVLUBPL-UHFFFAOYSA-N
XLogP9.58
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.18
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol?
The IUPAC name of 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol (CID 164974144) is 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol?
The canonical SMILES for 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol is CCCCN(c1nc(CCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol?
The InChIKey is GSPGQRRCVLUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H81N7O3/c1-11-13-27-48(34-30-41(3,4)50(42(5,6)31-34)53-36-22-17-15-18-23-36)39-45-38(26-21-29-52)46-40(47-39)49(28-14-12-2)35-32-43(7,8)51(44(9,10)33-35)54-37-24-19-16-20-25-37/h34-37,52H,11-33H2,1-10H3.
What are the key properties of 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol?
3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol has a molecular weight of 756.18 g/mol, XLogP of 9.58, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]propan-1-ol is sourced from PubChem (CID 164974144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).