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

C13H20ClN5O — CID 62869868

IUPAC4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCC1CCCCN1c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O/c1-10-4-2-3-5-19(10)13-16-11(14)15-12(17-13)18-6-8-20-9-7-18/h10H,2-9H2,1H3
InChIKeyLJTVKMKZCAAUKO-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.74
Rot. Bonds2

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

4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62869868) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID62869868
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCC1CCCCN1c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O/c1-10-4-2-3-5-19(10)13-16-11(14)15-12(17-13)18-6-8-20-9-7-18/h10H,2-9H2,1H3
InChIKeyLJTVKMKZCAAUKO-UHFFFAOYSA-N
XLogP1.74
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl(isopropyl)cyanamide
CID 714962
2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
CID 224967
2-Chloro-4-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazine
CID 706598
4,6-Dimorpholino-2-trimethylammonio-sym-triazine chloride
CID 15890380
2-Chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 5150976
N-[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-N-[2-(4-morpholinyl)ethyl]amine
CID 779526
2,4-Di(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazine
CID 1508118
2-Chloro-4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4007842
2-Chloro-4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4007842
4-(4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl)morpholine hydrochloride
CID 18580251
4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 162403943
(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine
CID 162406029

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine (CID 62869868) is 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine is CC1CCCCN1c1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is LJTVKMKZCAAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-10-4-2-3-5-19(10)13-16-11(14)15-12(17-13)18-6-8-20-9-7-18/h10H,2-9H2,1H3.
What are the key properties of 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 297.79 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62869868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).