3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine

C15H23F3N4O — CID 133486690

IUPAC3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-11(2)23-14-13(19-5-6-20-14)21-9-12-3-7-22(8-4-12)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyLDTWCJVCBVTVJS-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.95
Rot. Bonds6

About 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine

3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 133486690) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID133486690
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-11(2)23-14-13(19-5-6-20-14)21-9-12-3-7-22(8-4-12)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyLDTWCJVCBVTVJS-UHFFFAOYSA-N
XLogP2.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

2-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133470345
4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135613
N-[(1-methylpiperidin-3-yl)methyl]-3-propan-2-yloxypyrazin-2-amine
CID 133470733
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
1-cyclopropyl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133443246
N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
CID 133468910
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
CID 133486919
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
5-nitro-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486819
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 133486690) is 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine is CC(C)Oc1nccnc1NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is LDTWCJVCBVTVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11(2)23-14-13(19-5-6-20-14)21-9-12-3-7-22(8-4-12)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,21).
What are the key properties of 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 332.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).