4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C11H16F3N5O — CID 80877379

IUPAC4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(Oc1nc(N)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C11H16F3N5O/c1-7(11(12,13)14)20-10-17-8(15)16-9(18-10)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,15,16,17,18)
InChIKeyRKZZRIOBYAOFBH-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.77
Rot. Bonds3

About 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80877379) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80877379
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(Oc1nc(N)nc(N2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C11H16F3N5O/c1-7(11(12,13)14)20-10-17-8(15)16-9(18-10)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,15,16,17,18)
InChIKeyRKZZRIOBYAOFBH-UHFFFAOYSA-N
XLogP1.77
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80798570
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80761608
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
4-(3-methoxy-3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106668991
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 80756673
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80784975
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 80877379) is 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CC(Oc1nc(N)nc(N2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is RKZZRIOBYAOFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-7(11(12,13)14)20-10-17-8(15)16-9(18-10)19-5-3-2-4-6-19/h7H,2-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).