4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline

C14H19F3N2 — CID 61421048

IUPAC4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
SMILESCCC1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-2-10-5-7-19(8-6-10)13-4-3-11(18)9-12(13)14(15,16)17/h3-4,9-10H,2,5-8,18H2,1H3
InChIKeyMFCZLKLQSUGKEZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline

4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline (PubChem CID 61421048) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
PubChem CID61421048
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
SMILESCCC1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-2-10-5-7-19(8-6-10)13-4-3-11(18)9-12(13)14(15,16)17/h3-4,9-10H,2,5-8,18H2,1H3
InChIKeyMFCZLKLQSUGKEZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline (CID 61421048) is 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline is CCC1CCN(c2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline?
The InChIKey is MFCZLKLQSUGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-10-5-7-19(8-6-10)13-4-3-11(18)9-12(13)14(15,16)17/h3-4,9-10H,2,5-8,18H2,1H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline?
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).