1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine

C16H21Br3N2 — CID 43773632

IUPAC1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2c(Br)cc(Br)cc2Br)CC1
InChIInChI=1S/C16H21Br3N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3
InChIKeyPRKVFIGXJDDGKB-UHFFFAOYSA-N
MW481.07 g/mol
LogP5.82
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine (PubChem CID 43773632) has the molecular formula C16H21Br3N2 and a molecular weight of 481.07 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine
PubChem CID43773632
Molecular FormulaC16H21Br3N2
Molecular Weight481.07 g/mol
Exact Mass477.93
IUPAC Name1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2c(Br)cc(Br)cc2Br)CC1
InChIInChI=1S/C16H21Br3N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3
InChIKeyPRKVFIGXJDDGKB-UHFFFAOYSA-N
XLogP5.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.07
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine (CID 43773632) is 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine is CC(C)=CCN1CCC(Nc2c(Br)cc(Br)cc2Br)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine?
The InChIKey is PRKVFIGXJDDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br3N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine has a molecular weight of 481.07 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine is sourced from PubChem (CID 43773632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).