N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine

C20H30N4 — CID 46990248

IUPACN-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(NC(C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3
InChIKeyXWJJRDWXAMUSNG-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.78
Rot. Bonds5

About N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine

N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 46990248) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
PubChem CID46990248
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(NC(C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3
InChIKeyXWJJRDWXAMUSNG-UHFFFAOYSA-N
XLogP3.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.78
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 N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine (CID 46990248) is N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine is Cc1nccn1-c1ccc(N2CCC(NC(C)C(C)C)CC2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is XWJJRDWXAMUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-15(2)16(3)22-18-9-12-23(13-10-18)19-5-7-20(8-6-19)24-14-11-21-17(24)4/h5-8,11,14-16,18,22H,9-10,12-13H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine?
N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 326.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46990248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).