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

C15H24F3N5O — CID 133420794

IUPAC1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(C(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H24F3N5O/c1-9(2)12-19-13(22(3)4)21-14(20-12)23-7-5-10(6-8-23)11(24)15(16,17)18/h9-11,24H,5-8H2,1-4H3
InChIKeyDQPQSUKSEGLZNB-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.20
Rot. Bonds4

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

1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol (PubChem CID 133420794) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
PubChem CID133420794
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Name1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(C(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H24F3N5O/c1-9(2)12-19-13(22(3)4)21-14(20-12)23-7-5-10(6-8-23)11(24)15(16,17)18/h9-11,24H,5-8H2,1-4H3
InChIKeyDQPQSUKSEGLZNB-UHFFFAOYSA-N
XLogP2.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]methanol
CID 60968067
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]methanol
CID 62021578
(1S)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 95621840
(1R)-1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 95621841
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylpiperidin-3-ol
CID 103897975
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-3-ol
CID 103898558
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-4-methylpiperidin-3-ol
CID 109950859
1-[1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-yl]ethanol
CID 111114118
1-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol
CID 113234360
1-[1-[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133393715
1-[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-4-methylpiperidin-3-ol
CID 133446566

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol (CID 133420794) is 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol is CC(C)c1nc(N(C)C)nc(N2CCC(C(O)C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is DQPQSUKSEGLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-9(2)12-19-13(22(3)4)21-14(20-12)23-7-5-10(6-8-23)11(24)15(16,17)18/h9-11,24H,5-8H2,1-4H3.
What are the key properties of 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol?
1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 347.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 133420794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).