2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol

C11H18ClN5O — CID 544488

IUPAC2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1CCN(c2nc(Cl)nc(NCCO)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-8-2-5-17(6-3-8)11-15-9(12)14-10(16-11)13-4-7-18/h8,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyRQBFXNJEDJHCRC-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.17
Rot. Bonds4

About 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 544488) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID544488
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC1CCN(c2nc(Cl)nc(NCCO)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-8-2-5-17(6-3-8)11-15-9(12)14-10(16-11)13-4-7-18/h8,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyRQBFXNJEDJHCRC-UHFFFAOYSA-N
XLogP1.17
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol (CID 544488) is 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol is CC1CCN(c2nc(Cl)nc(NCCO)n2)CC1.
What is the InChIKey of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is RQBFXNJEDJHCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-8-2-5-17(6-3-8)11-15-9(12)14-10(16-11)13-4-7-18/h8,18H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 271.75 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 544488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).