N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C17H25BrN2 — CID 107582294

IUPACN-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2/c1-13(2)4-7-20-8-5-16(6-9-20)19-17-11-14(3)10-15(18)12-17/h4,10-12,16,19H,5-9H2,1-3H3
InChIKeyVIDMHTBXKUEPDI-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.60
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 107582294) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID107582294
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2/c1-13(2)4-7-20-8-5-16(6-9-20)19-17-11-14(3)10-15(18)12-17/h4,10-12,16,19H,5-9H2,1-3H3
InChIKeyVIDMHTBXKUEPDI-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 107582294) is N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(Nc2cc(C)cc(Br)c2)CC1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is VIDMHTBXKUEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-13(2)4-7-20-8-5-16(6-9-20)19-17-11-14(3)10-15(18)12-17/h4,10-12,16,19H,5-9H2,1-3H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 337.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 107582294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).