5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine

C11H18F2N4 — CID 163426391

IUPAC5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
SMILESCN1CCN(C2=C(C(F)F)C=NCC2N)CC1
InChIInChI=1S/C11H18F2N4/c1-16-2-4-17(5-3-16)10-8(11(12)13)6-15-7-9(10)14/h6,9,11H,2-5,7,14H2,1H3
InChIKeyAMWRFBRYAUFKOO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.16
Rot. Bonds2

About 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine

5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine (PubChem CID 163426391) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
PubChem CID163426391
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine
SMILESCN1CCN(C2=C(C(F)F)C=NCC2N)CC1
InChIInChI=1S/C11H18F2N4/c1-16-2-4-17(5-3-16)10-8(11(12)13)6-15-7-9(10)14/h6,9,11H,2-5,7,14H2,1H3
InChIKeyAMWRFBRYAUFKOO-UHFFFAOYSA-N
XLogP0.16
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The IUPAC name of 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine (CID 163426391) is 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The canonical SMILES for 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine is CN1CCN(C2=C(C(F)F)C=NCC2N)CC1.
What is the InChIKey of 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
The InChIKey is AMWRFBRYAUFKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-16-2-4-17(5-3-16)10-8(11(12)13)6-15-7-9(10)14/h6,9,11H,2-5,7,14H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine?
5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine has a molecular weight of 244.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 163426391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).