2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile

C13H20F3N3 — CID 62960937

IUPAC2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-19-6-4-11(5-7-19)18-12-3-1-2-10(12)8-17/h10-12,18H,1-7,9H2
InChIKeyDCEXZSUFMDOMPX-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.29
Rot. Bonds3

About 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile

2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile (PubChem CID 62960937) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
PubChem CID62960937
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-19-6-4-11(5-7-19)18-12-3-1-2-10(12)8-17/h10-12,18H,1-7,9H2
InChIKeyDCEXZSUFMDOMPX-UHFFFAOYSA-N
XLogP2.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile (CID 62960937) is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile is N#CC1CCCC1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile?
The InChIKey is DCEXZSUFMDOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c14-13(15,16)9-19-6-4-11(5-7-19)18-12-3-1-2-10(12)8-17/h10-12,18H,1-7,9H2.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile?
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62960937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).