N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine

C15H20F3N3 — CID 62592662

IUPACN-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(N2CCC(CNC3CC3)CC2)nc1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)12-1-4-14(20-10-12)21-7-5-11(6-8-21)9-19-13-2-3-13/h1,4,10-11,13,19H,2-3,5-9H2
InChIKeyIGIWMIMPAVAYPM-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.07
Rot. Bonds4

About N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine

N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 62592662) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID62592662
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC NameN-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(N2CCC(CNC3CC3)CC2)nc1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)12-1-4-14(20-10-12)21-7-5-11(6-8-21)9-19-13-2-3-13/h1,4,10-11,13,19H,2-3,5-9H2
InChIKeyIGIWMIMPAVAYPM-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine (CID 62592662) is N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine is FC(F)(F)c1ccc(N2CCC(CNC3CC3)CC2)nc1.
What is the InChIKey of N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is IGIWMIMPAVAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)12-1-4-14(20-10-12)21-7-5-11(6-8-21)9-19-13-2-3-13/h1,4,10-11,13,19H,2-3,5-9H2.
What are the key properties of N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 299.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62592662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).