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

C15H25Cl2N5O — CID 57310769

IUPAC3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCNc2nc(Cl)nc(Cl)n2)CC(C)(C)N1
InChIInChI=1S/C15H25Cl2N5O/c1-14(2)7-9(8-15(3,4)22-14)10(23)5-6-18-13-20-11(16)19-12(17)21-13/h9-10,22-23H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyBBPTWMWZDJHSCA-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.90
Rot. Bonds5

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

3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol (PubChem CID 57310769) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol
PubChem CID57310769
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCNc2nc(Cl)nc(Cl)n2)CC(C)(C)N1
InChIInChI=1S/C15H25Cl2N5O/c1-14(2)7-9(8-15(3,4)22-14)10(23)5-6-18-13-20-11(16)19-12(17)21-13/h9-10,22-23H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyBBPTWMWZDJHSCA-UHFFFAOYSA-N
XLogP2.90
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol (CID 57310769) is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol is CC1(C)CC(C(O)CCNc2nc(Cl)nc(Cl)n2)CC(C)(C)N1.
What is the InChIKey of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol?
The InChIKey is BBPTWMWZDJHSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N5O/c1-14(2)7-9(8-15(3,4)22-14)10(23)5-6-18-13-20-11(16)19-12(17)21-13/h9-10,22-23H,5-8H2,1-4H3,(H,18,19,20,21).
What are the key properties of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol?
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol has a molecular weight of 362.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 57310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).