1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C16H25F3N6O — CID 133419277

IUPAC1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(C)c1nc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H25F3N6O/c1-10(2)12-21-14(23-15(22-12)24(3)4)20-9-11-5-7-25(8-6-11)13(26)16(17,18)19/h10-11H,5-9H2,1-4H3,(H,20,21,22,23)
InChIKeyUQGMBZNEHYCEAJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.27
Rot. Bonds5

About 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 133419277) has the molecular formula C16H25F3N6O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID133419277
Molecular FormulaC16H25F3N6O
Molecular Weight374.41 g/mol
Exact Mass374.20
IUPAC Name1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(C)c1nc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H25F3N6O/c1-10(2)12-21-14(23-15(22-12)24(3)4)20-9-11-5-7-25(8-6-11)13(26)16(17,18)19/h10-11H,5-9H2,1-4H3,(H,20,21,22,23)
InChIKeyUQGMBZNEHYCEAJ-UHFFFAOYSA-N
XLogP2.27
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254620
3-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133421694
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 133486853
2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 167809645
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 34768967
1-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-ethylpiperidine-4-carboxamide
CID 34768982
1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-ethylpiperidine-4-carboxamide
CID 34768988
1-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-methylpiperidine-4-carboxamide
CID 36344374
1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-methylpiperidine-4-carboxamide
CID 36344382
1-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide
CID 37210286
1-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-butylpiperidine-4-carboxamide
CID 37210288

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 133419277) is 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is CC(C)c1nc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc(N(C)C)n1.
What is the InChIKey of 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is UQGMBZNEHYCEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N6O/c1-10(2)12-21-14(23-15(22-12)24(3)4)20-9-11-5-7-25(8-6-11)13(26)16(17,18)19/h10-11H,5-9H2,1-4H3,(H,20,21,22,23).
What are the key properties of 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 374.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 133419277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).