2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine

C16H22F3N3O2 — CID 566712

IUPAC2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C16H22F3N3O2/c1-14(2)8-11(9-15(3,4)21-14)20-12-6-5-10(16(17,18)19)7-13(12)22(23)24/h5-7,11,20-21H,8-9H2,1-4H3
InChIKeyIJOBZIJWMKELRX-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.33
Rot. Bonds3

About 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 566712) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID566712
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C16H22F3N3O2/c1-14(2)8-11(9-15(3,4)21-14)20-12-6-5-10(16(17,18)19)7-13(12)22(23)24/h5-7,11,20-21H,8-9H2,1-4H3
InChIKeyIJOBZIJWMKELRX-UHFFFAOYSA-N
XLogP4.33
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine (CID 566712) is 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine is CC1(C)CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is IJOBZIJWMKELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-14(2)8-11(9-15(3,4)21-14)20-12-6-5-10(16(17,18)19)7-13(12)22(23)24/h5-7,11,20-21H,8-9H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 345.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 566712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).