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

C12H17F3N4 — CID 133486651

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)CN1CCC(CNc2cnccn2)CC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)9-19-5-1-10(2-6-19)7-18-11-8-16-3-4-17-11/h3-4,8,10H,1-2,5-7,9H2,(H,17,18)
InChIKeyPJYHXKVEZWRNQO-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.16
Rot. Bonds4

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

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 133486651) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID133486651
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)CN1CCC(CNc2cnccn2)CC1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)9-19-5-1-10(2-6-19)7-18-11-8-16-3-4-17-11/h3-4,8,10H,1-2,5-7,9H2,(H,17,18)
InChIKeyPJYHXKVEZWRNQO-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
3-propan-2-yloxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486690
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
CID 126784896
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
CID 133486919
3-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133486938
N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine
CID 66006093
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486848
3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133486689

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 133486651) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine is FC(F)(F)CN1CCC(CNc2cnccn2)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is PJYHXKVEZWRNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)9-19-5-1-10(2-6-19)7-18-11-8-16-3-4-17-11/h3-4,8,10H,1-2,5-7,9H2,(H,17,18).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133486651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).