4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline

C15H21F3N2 — CID 22345206

IUPAC4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline
SMILESCCCN1CCC(c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2/c1-2-7-20-8-5-11(6-9-20)12-3-4-14(19)13(10-12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3
InChIKeySYRQBAPUWUBDJB-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.88
Rot. Bonds3

About 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline

4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline (PubChem CID 22345206) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline
PubChem CID22345206
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline
SMILESCCCN1CCC(c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2/c1-2-7-20-8-5-11(6-9-20)12-3-4-14(19)13(10-12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3
InChIKeySYRQBAPUWUBDJB-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline (CID 22345206) is 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline is CCCN1CCC(c2ccc(N)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline?
The InChIKey is SYRQBAPUWUBDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-7-20-8-5-11(6-9-20)12-3-4-14(19)13(10-12)15(16,17)18/h3-4,10-11H,2,5-9,19H2,1H3.
What are the key properties of 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline?
4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpiperidin-4-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 22345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).