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

C11H20F2N2 — CID 62582243

IUPACN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C11H20F2N2/c12-11(13)8-15-5-1-2-9(7-15)6-14-10-3-4-10/h9-11,14H,1-8H2
InChIKeyAHEZZZXSXYDDLO-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.72
Rot. Bonds5

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

N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62582243) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62582243
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C11H20F2N2/c12-11(13)8-15-5-1-2-9(7-15)6-14-10-3-4-10/h9-11,14H,1-8H2
InChIKeyAHEZZZXSXYDDLO-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.72
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-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 62582243) is N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine is FC(F)CN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is AHEZZZXSXYDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13)8-15-5-1-2-9(7-15)6-14-10-3-4-10/h9-11,14H,1-8H2.
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 218.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62582243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).