1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine

C21H32N4 — CID 46990497

IUPAC1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(NC(C)CC(C)C)CC2)cc1
InChIInChI=1S/C21H32N4/c1-16(2)15-17(3)23-19-9-12-24(13-10-19)20-5-7-21(8-6-20)25-14-11-22-18(25)4/h5-8,11,14,16-17,19,23H,9-10,12-13,15H2,1-4H3
InChIKeyOBBGOLHNUNKSPM-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.17
Rot. Bonds6

About 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine

1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine (PubChem CID 46990497) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine
PubChem CID46990497
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(NC(C)CC(C)C)CC2)cc1
InChIInChI=1S/C21H32N4/c1-16(2)15-17(3)23-19-9-12-24(13-10-19)20-5-7-21(8-6-20)25-14-11-22-18(25)4/h5-8,11,14,16-17,19,23H,9-10,12-13,15H2,1-4H3
InChIKeyOBBGOLHNUNKSPM-UHFFFAOYSA-N
XLogP4.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine (CID 46990497) is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine is Cc1nccn1-c1ccc(N2CCC(NC(C)CC(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine?
The InChIKey is OBBGOLHNUNKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-16(2)15-17(3)23-19-9-12-24(13-10-19)20-5-7-21(8-6-20)25-14-11-22-18(25)4/h5-8,11,14,16-17,19,23H,9-10,12-13,15H2,1-4H3.
What are the key properties of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine?
1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine has a molecular weight of 340.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine is sourced from PubChem (CID 46990497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).