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

C12H15F3N2 — CID 6500399

IUPAC4-piperidin-1-yl-3-(trifluoromethyl)aniline
SMILESNc1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-8-9(16)4-5-11(10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChIKeyRLYTXYOWWUWWND-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.28
Rot. Bonds1

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

4-piperidin-1-yl-3-(trifluoromethyl)aniline (PubChem CID 6500399) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-piperidin-1-yl-3-(trifluoromethyl)aniline
PubChem CID6500399
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name4-piperidin-1-yl-3-(trifluoromethyl)aniline
SMILESNc1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-8-9(16)4-5-11(10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChIKeyRLYTXYOWWUWWND-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.28
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-piperidin-1-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-piperidin-1-yl-3-(trifluoromethyl)aniline (CID 6500399) is 4-piperidin-1-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-piperidin-1-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-piperidin-1-yl-3-(trifluoromethyl)aniline is Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-piperidin-1-yl-3-(trifluoromethyl)aniline?
The InChIKey is RLYTXYOWWUWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-8-9(16)4-5-11(10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2.
What are the key properties of 4-piperidin-1-yl-3-(trifluoromethyl)aniline?
4-piperidin-1-yl-3-(trifluoromethyl)aniline has a molecular weight of 244.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 6500399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).