2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

C16H20F3N3 — CID 167318507

IUPAC2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCN1CCC(c2cc3c(N)cccc3n2CC(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3/c1-21-7-5-11(6-8-21)15-9-12-13(20)3-2-4-14(12)22(15)10-16(17,18)19/h2-4,9,11H,5-8,10,20H2,1H3
InChIKeyJZFIIHHIUVPTKN-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.60
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 167318507) has the molecular formula C16H20F3N3 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID167318507
Molecular FormulaC16H20F3N3
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC Name2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCN1CCC(c2cc3c(N)cccc3n2CC(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3/c1-21-7-5-11(6-8-21)15-9-12-13(20)3-2-4-14(12)22(15)10-16(17,18)19/h2-4,9,11H,5-8,10,20H2,1H3
InChIKeyJZFIIHHIUVPTKN-UHFFFAOYSA-N
XLogP3.60
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 167318507) is 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is CN1CCC(c2cc3c(N)cccc3n2CC(F)(F)F)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is JZFIIHHIUVPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3/c1-21-7-5-11(6-8-21)15-9-12-13(20)3-2-4-14(12)22(15)10-16(17,18)19/h2-4,9,11H,5-8,10,20H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 311.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 167318507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).