4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine

C19H27F3N2O — CID 68508942

IUPAC4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3c(F)cc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F3N2O/c20-14-11-17(21)19(18(22)12-14)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2
InChIKeyPEHLJDAARZMNRV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.85
Rot. Bonds5

About 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68508942) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68508942
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3c(F)cc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F3N2O/c20-14-11-17(21)19(18(22)12-14)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2
InChIKeyPEHLJDAARZMNRV-UHFFFAOYSA-N
XLogP3.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine (CID 68508942) is 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCC(Oc3c(F)cc(F)cc3F)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is PEHLJDAARZMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c20-14-11-17(21)19(18(22)12-14)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2.
What are the key properties of 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 356.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68508942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).