N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

C14H19F3N4 — CID 66450341

IUPACN-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)10-3-5-21(6-4-10)13-9-18-7-12(20-13)8-19-11-1-2-11/h7,9-11,19H,1-6,8H2
InChIKeyVHMZZVIOYBGYFA-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.51
Rot. Bonds4

About N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66450341) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66450341
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)10-3-5-21(6-4-10)13-9-18-7-12(20-13)8-19-11-1-2-11/h7,9-11,19H,1-6,8H2
InChIKeyVHMZZVIOYBGYFA-UHFFFAOYSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (CID 66450341) is N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is FC(F)(F)C1CCN(c2cncc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is VHMZZVIOYBGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)10-3-5-21(6-4-10)13-9-18-7-12(20-13)8-19-11-1-2-11/h7,9-11,19H,1-6,8H2.
What are the key properties of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 300.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66450341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).