N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

C21H32N4 — CID 16677060

IUPACN-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CN(Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H32N4/c1-20(2)11-18(12-21(3,4)23-20)25(14-17-9-7-6-8-10-17)15-19-13-22-16-24(19)5/h6-10,13,16,18,23H,11-12,14-15H2,1-5H3
InChIKeyHKSDYJKNQVOVGU-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.73
Rot. Bonds5

About N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 16677060) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID16677060
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC NameN-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CN(Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H32N4/c1-20(2)11-18(12-21(3,4)23-20)25(14-17-9-7-6-8-10-17)15-19-13-22-16-24(19)5/h6-10,13,16,18,23H,11-12,14-15H2,1-5H3
InChIKeyHKSDYJKNQVOVGU-UHFFFAOYSA-N
XLogP3.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (CID 16677060) is N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is Cn1cncc1CN(Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is HKSDYJKNQVOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-20(2)11-18(12-21(3,4)23-20)25(14-17-9-7-6-8-10-17)15-19-13-22-16-24(19)5/h6-10,13,16,18,23H,11-12,14-15H2,1-5H3.
What are the key properties of N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 340.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,6,6-tetramethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 16677060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).