4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine

C13H24F3N3 — CID 62319981

IUPAC4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h10-12,18H,1-9,17H2
InChIKeyKXVDXRYUMCYPFH-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.87
Rot. Bonds3

About 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine

4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine (PubChem CID 62319981) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
PubChem CID62319981
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h10-12,18H,1-9,17H2
InChIKeyKXVDXRYUMCYPFH-UHFFFAOYSA-N
XLogP1.87
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine (CID 62319981) is 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine is NC1CCC(NC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is KXVDXRYUMCYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h10-12,18H,1-9,17H2.
What are the key properties of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine?
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 279.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62319981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).