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

C12H19ClN4O — CID 62870467

IUPAC2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESCC(C)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-9(2)8-18-12-15-10(13)14-11(16-12)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3
InChIKeyPDPJLXDSTOUTGR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.55
Rot. Bonds4

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

2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62870467) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62870467
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESCC(C)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-9(2)8-18-12-15-10(13)14-11(16-12)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3
InChIKeyPDPJLXDSTOUTGR-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
2-chloro-4-(2-methylpropylsulfanyl)-6-piperidin-1-yl-1,3,5-triazine
CID 62868055
2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
CID 82789263
2-chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62869308
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine (CID 62870467) is 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine is CC(C)COc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is PDPJLXDSTOUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9(2)8-18-12-15-10(13)14-11(16-12)17-6-4-3-5-7-17/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 270.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62870467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).