2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

C20H32N4O — CID 16676902

IUPAC2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(Cc2nc[nH]c2C)C2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C20H32N4O/c1-14-7-8-17(25-14)11-24(12-18-15(2)21-13-22-18)16-9-19(3,4)23-20(5,6)10-16/h7-8,13,16,23H,9-12H2,1-6H3,(H,21,22)
InChIKeyIFWLLSJHQCZISO-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.93
Rot. Bonds5

About 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 16676902) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
PubChem CID16676902
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(Cc2nc[nH]c2C)C2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C20H32N4O/c1-14-7-8-17(25-14)11-24(12-18-15(2)21-13-22-18)16-9-19(3,4)23-20(5,6)10-16/h7-8,13,16,23H,9-12H2,1-6H3,(H,21,22)
InChIKeyIFWLLSJHQCZISO-UHFFFAOYSA-N
XLogP3.93
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (CID 16676902) is 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is Cc1ccc(CN(Cc2nc[nH]c2C)C2CC(C)(C)NC(C)(C)C2)o1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is IFWLLSJHQCZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-14-7-8-17(25-14)11-24(12-18-15(2)21-13-22-18)16-9-19(3,4)23-20(5,6)10-16/h7-8,13,16,23H,9-12H2,1-6H3,(H,21,22).
What are the key properties of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 344.50 g/mol, XLogP of 3.93, 5 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-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 16676902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).