N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C22H33FN4 — CID 16673363

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)n1C
InChIInChI=1S/C22H33FN4/c1-16-24-13-20(26(16)6)15-27(14-17-7-9-18(23)10-8-17)19-11-21(2,3)25-22(4,5)12-19/h7-10,13,19,25H,11-12,14-15H2,1-6H3
InChIKeyAPUQQUBUCAQZHX-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.18
Rot. Bonds5

About N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 16673363) has the molecular formula C22H33FN4 and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID16673363
Molecular FormulaC22H33FN4
Molecular Weight372.53 g/mol
Exact Mass372.27
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)n1C
InChIInChI=1S/C22H33FN4/c1-16-24-13-20(26(16)6)15-27(14-17-7-9-18(23)10-8-17)19-11-21(2,3)25-22(4,5)12-19/h7-10,13,19,25H,11-12,14-15H2,1-6H3
InChIKeyAPUQQUBUCAQZHX-UHFFFAOYSA-N
XLogP4.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 16673363) is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is Cc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is APUQQUBUCAQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4/c1-16-24-13-20(26(16)6)15-27(14-17-7-9-18(23)10-8-17)19-11-21(2,3)25-22(4,5)12-19/h7-10,13,19,25H,11-12,14-15H2,1-6H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 372.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 16673363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).