N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine

C11H16F2N4 — CID 95846721

IUPACN-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
SMILESFC(F)CNc1cnc([C@H]2CCCNC2)cn1
InChIInChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-2-1-3-14-4-8/h5,7-8,10,14H,1-4,6H2,(H,16,17)/t8-/m0/s1
InChIKeyHUWFCHXNWPUYDJ-QMMMGPOBSA-N
MW242.27 g/mol
LogP1.62
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine

N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine (PubChem CID 95846721) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
PubChem CID95846721
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
SMILESFC(F)CNc1cnc([C@H]2CCCNC2)cn1
InChIInChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-2-1-3-14-4-8/h5,7-8,10,14H,1-4,6H2,(H,16,17)/t8-/m0/s1
InChIKeyHUWFCHXNWPUYDJ-QMMMGPOBSA-N
XLogP1.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)pyrazin-2-amine
CID 95825535
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
CID 95846579
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
4-[5-[(3S)-piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 95825430
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2-(difluoromethyl)-5-piperidin-4-ylpyrazine
CID 84679627
4-piperidin-3-yl-1,3-thiazole;hydrobromide
CID 118295102

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine (CID 95846721) is N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine is FC(F)CNc1cnc([C@H]2CCCNC2)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine?
The InChIKey is HUWFCHXNWPUYDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-2-1-3-14-4-8/h5,7-8,10,14H,1-4,6H2,(H,16,17)/t8-/m0/s1.
What are the key properties of N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine?
N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 95846721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).