4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline

C15H21F3N2 — CID 67315211

IUPAC4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCCN1CCC(Cc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-2-20-7-5-11(6-8-20)9-12-3-4-13(19)10-14(12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3
InChIKeyBFEBCONAELGUEQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.56
Rot. Bonds3

About 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline

4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 67315211) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID67315211
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCCN1CCC(Cc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-2-20-7-5-11(6-8-20)9-12-3-4-13(19)10-14(12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3
InChIKeyBFEBCONAELGUEQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.56
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 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline (CID 67315211) is 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline is CCN1CCC(Cc2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is BFEBCONAELGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-20-7-5-11(6-8-20)9-12-3-4-13(19)10-14(12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3.
What are the key properties of 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline?
4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 67315211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).