5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline

C18H25F3N2 — CID 169488631

IUPAC5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline
SMILESNc1cc(C2CCCCC2)ccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2/c19-18(20,21)15-7-4-10-23(12-15)17-9-8-14(11-16(17)22)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12,22H2
InChIKeyBMYRULAGEOXQDL-UHFFFAOYSA-N
MW326.41 g/mol
LogP5.10
Rot. Bonds2

About 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline

5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline (PubChem CID 169488631) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline
PubChem CID169488631
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline
SMILESNc1cc(C2CCCCC2)ccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2/c19-18(20,21)15-7-4-10-23(12-15)17-9-8-14(11-16(17)22)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12,22H2
InChIKeyBMYRULAGEOXQDL-UHFFFAOYSA-N
XLogP5.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline?
The IUPAC name of 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline (CID 169488631) is 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline?
The canonical SMILES for 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline is Nc1cc(C2CCCCC2)ccc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline?
The InChIKey is BMYRULAGEOXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2/c19-18(20,21)15-7-4-10-23(12-15)17-9-8-14(11-16(17)22)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12,22H2.
What are the key properties of 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline?
5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline has a molecular weight of 326.41 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 169488631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).