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

C13H22ClN5O2 — CID 82689356

IUPAC2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1nc(Cl)nc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-2-5-15-12-16-11(14)17-13(18-12)19-6-3-10(4-7-19)21-9-8-20/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyFEUYYMNFILTXDE-UHFFFAOYSA-N
MW315.81 g/mol
LogP1.32
Rot. Bonds7

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

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol (PubChem CID 82689356) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
PubChem CID82689356
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
SMILESCCCNc1nc(Cl)nc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-2-5-15-12-16-11(14)17-13(18-12)19-6-3-10(4-7-19)21-9-8-20/h10,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyFEUYYMNFILTXDE-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol (CID 82689356) is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol is CCCNc1nc(Cl)nc(N2CCC(OCCO)CC2)n1.
What is the InChIKey of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol?
The InChIKey is FEUYYMNFILTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O2/c1-2-5-15-12-16-11(14)17-13(18-12)19-6-3-10(4-7-19)21-9-8-20/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-4-yl]oxyethanol?
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol has a molecular weight of 315.81 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-4-yl]oxyethanol is sourced from PubChem (CID 82689356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).