(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine

C13H18ClF2N5O — CID 137454014

IUPAC(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H18ClF2N5O/c1-9-8-22-7-6-21(9)12-18-10(14)17-11(19-12)20-4-2-13(15,16)3-5-20/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyXMXJRYQQAUJUME-SECBINFHSA-N
MW333.77 g/mol
LogP1.99
Rot. Bonds2

About (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine

(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine (PubChem CID 137454014) has the molecular formula C13H18ClF2N5O and a molecular weight of 333.77 g/mol. Its IUPAC name is (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine
PubChem CID137454014
Molecular FormulaC13H18ClF2N5O
Molecular Weight333.77 g/mol
Exact Mass333.12
IUPAC Name(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H18ClF2N5O/c1-9-8-22-7-6-21(9)12-18-10(14)17-11(19-12)20-4-2-13(15,16)3-5-20/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyXMXJRYQQAUJUME-SECBINFHSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine (CID 137454014) is (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(Cl)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine?
The InChIKey is XMXJRYQQAUJUME-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClF2N5O/c1-9-8-22-7-6-21(9)12-18-10(14)17-11(19-12)20-4-2-13(15,16)3-5-20/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine?
(3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine has a molecular weight of 333.77 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-chloro-6-(4,4-difluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 137454014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).