2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol

C12H20F2N6O — CID 107495090

IUPAC2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nc(N2CCCCC2)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H20F2N6O/c13-9(14)8-20(6-7-21)12-17-10(15)16-11(18-12)19-4-2-1-3-5-19/h9,21H,1-8H2,(H2,15,16,17,18)
InChIKeyVOSKADPOQRPPHC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.51
Rot. Bonds6

About 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495090) has the molecular formula C12H20F2N6O and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495090
Molecular FormulaC12H20F2N6O
Molecular Weight302.33 g/mol
Exact Mass302.17
IUPAC Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nc(N2CCCCC2)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H20F2N6O/c13-9(14)8-20(6-7-21)12-17-10(15)16-11(18-12)19-4-2-1-3-5-19/h9,21H,1-8H2,(H2,15,16,17,18)
InChIKeyVOSKADPOQRPPHC-UHFFFAOYSA-N
XLogP0.51
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
2-[(4,6-Dipiperidyl-1,3,5-triazin-2-yl)amino]ethan-1-ol
CID 2188447
4-(Piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 4020498
4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80830319
4-Piperidin-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80843345
4-Piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877379
4-(2,2-difluoroethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 82009103
4-(2,2-Difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 82009108
4-Piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82782439
4-Piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
CID 82957404
N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
CID 82963158
3-[(4-Chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648266

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107495090) is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol is Nc1nc(N2CCCCC2)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is VOSKADPOQRPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N6O/c13-9(14)8-20(6-7-21)12-17-10(15)16-11(18-12)19-4-2-1-3-5-19/h9,21H,1-8H2,(H2,15,16,17,18).
What are the key properties of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 302.33 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).