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

C19H30N4O — CID 16676932

IUPACN-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(Cc2ncc[nH]2)C2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C19H30N4O/c1-14-6-7-16(24-14)12-23(13-17-20-8-9-21-17)15-10-18(2,3)22-19(4,5)11-15/h6-9,15,22H,10-13H2,1-5H3,(H,20,21)
InChIKeyKXEDECGRWFXRRH-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.62
Rot. Bonds5

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

N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine (PubChem CID 16676932) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
PubChem CID16676932
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(Cc2ncc[nH]2)C2CC(C)(C)NC(C)(C)C2)o1
InChIInChI=1S/C19H30N4O/c1-14-6-7-16(24-14)12-23(13-17-20-8-9-21-17)15-10-18(2,3)22-19(4,5)11-15/h6-9,15,22H,10-13H2,1-5H3,(H,20,21)
InChIKeyKXEDECGRWFXRRH-UHFFFAOYSA-N
XLogP3.62
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine (CID 16676932) is N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine is Cc1ccc(CN(Cc2ncc[nH]2)C2CC(C)(C)NC(C)(C)C2)o1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The InChIKey is KXEDECGRWFXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-6-7-16(24-14)12-23(13-17-20-8-9-21-17)15-10-18(2,3)22-19(4,5)11-15/h6-9,15,22H,10-13H2,1-5H3,(H,20,21).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine has a molecular weight of 330.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 16676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).