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

C13H22ClN5O — CID 80766741

IUPAC2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
SMILESCCCNc1nc(Cl)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H22ClN5O/c1-2-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-10(19)6-9-20/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyZNWYONHTFWSCFZ-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.09
Rot. Bonds6

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

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol (PubChem CID 80766741) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
PubChem CID80766741
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
SMILESCCCNc1nc(Cl)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H22ClN5O/c1-2-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-10(19)6-9-20/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyZNWYONHTFWSCFZ-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol (CID 80766741) is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol is CCCNc1nc(Cl)nc(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol?
The InChIKey is ZNWYONHTFWSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-2-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-10(19)6-9-20/h10,20H,2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol?
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol has a molecular weight of 299.81 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 80766741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).