N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine

C11H19F3N2 — CID 62579889

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-16-5-1-2-9(7-16)6-15-10-3-4-10/h9-10,15H,1-8H2
InChIKeyHYOQHYDBAJEPFU-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62579889) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62579889
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-16-5-1-2-9(7-16)6-15-10-3-4-10/h9-10,15H,1-8H2
InChIKeyHYOQHYDBAJEPFU-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 62579889) is N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine is FC(F)(F)CN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is HYOQHYDBAJEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)8-16-5-1-2-9(7-16)6-15-10-3-4-10/h9-10,15H,1-8H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62579889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).