2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine

C13H19ClN4O2 — CID 62869308

IUPAC2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1nc(OCC2CCOC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H19ClN4O2/c14-11-15-12(18-5-2-1-3-6-18)17-13(16-11)20-9-10-4-7-19-8-10/h10H,1-9H2
InChIKeyHFHMVVRGEPQKIK-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62869308) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62869308
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1nc(OCC2CCOC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H19ClN4O2/c14-11-15-12(18-5-2-1-3-6-18)17-13(16-11)20-9-10-4-7-19-8-10/h10H,1-9H2
InChIKeyHFHMVVRGEPQKIK-UHFFFAOYSA-N
XLogP1.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911950
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
CID 124510374
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
2-chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine (CID 62869308) is 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine is Clc1nc(OCC2CCOC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is HFHMVVRGEPQKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c14-11-15-12(18-5-2-1-3-6-18)17-13(16-11)20-9-10-4-7-19-8-10/h10H,1-9H2.
What are the key properties of 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 298.77 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62869308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).