N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine

C10H14F2N4 — CID 140878873

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine
SMILESFC1(F)CNCCC1CNc1cnccn1
InChIInChI=1S/C10H14F2N4/c11-10(12)7-14-2-1-8(10)5-16-9-6-13-3-4-15-9/h3-4,6,8,14H,1-2,5,7H2,(H,15,16)
InChIKeyMYAVMAXBCSSVER-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.13
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine

N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 140878873) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID140878873
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine
SMILESFC1(F)CNCCC1CNc1cnccn1
InChIInChI=1S/C10H14F2N4/c11-10(12)7-14-2-1-8(10)5-16-9-6-13-3-4-15-9/h3-4,6,8,14H,1-2,5,7H2,(H,15,16)
InChIKeyMYAVMAXBCSSVER-UHFFFAOYSA-N
XLogP1.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine (CID 140878873) is N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine is FC1(F)CNCCC1CNc1cnccn1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is MYAVMAXBCSSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c11-10(12)7-14-2-1-8(10)5-16-9-6-13-3-4-15-9/h3-4,6,8,14H,1-2,5,7H2,(H,15,16).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine?
N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 228.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 140878873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).