1-(6-bromo-2-methyldodecan-4-yl)piperidine

C18H36BrN — CID 70540385

IUPAC1-(6-bromo-2-methyldodecan-4-yl)piperidine
SMILESCCCCCCC(Br)CC(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H36BrN/c1-4-5-6-8-11-17(19)15-18(14-16(2)3)20-12-9-7-10-13-20/h16-18H,4-15H2,1-3H3
InChIKeyPNEVUVIPPQKXJL-UHFFFAOYSA-N
MW346.40 g/mol
LogP6.01
Rot. Bonds10

About 1-(6-bromo-2-methyldodecan-4-yl)piperidine

1-(6-bromo-2-methyldodecan-4-yl)piperidine (PubChem CID 70540385) has the molecular formula C18H36BrN and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(6-bromo-2-methyldodecan-4-yl)piperidine.

Molecular Properties

Compound Name1-(6-bromo-2-methyldodecan-4-yl)piperidine
PubChem CID70540385
Molecular FormulaC18H36BrN
Molecular Weight346.40 g/mol
Exact Mass345.20
IUPAC Name1-(6-bromo-2-methyldodecan-4-yl)piperidine
SMILESCCCCCCC(Br)CC(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H36BrN/c1-4-5-6-8-11-17(19)15-18(14-16(2)3)20-12-9-7-10-13-20/h16-18H,4-15H2,1-3H3
InChIKeyPNEVUVIPPQKXJL-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyldodecan-4-yl)piperidine?
The IUPAC name of 1-(6-bromo-2-methyldodecan-4-yl)piperidine (CID 70540385) is 1-(6-bromo-2-methyldodecan-4-yl)piperidine.
What is the SMILES notation for 1-(6-bromo-2-methyldodecan-4-yl)piperidine?
The canonical SMILES for 1-(6-bromo-2-methyldodecan-4-yl)piperidine is CCCCCCC(Br)CC(CC(C)C)N1CCCCC1.
What is the InChIKey of 1-(6-bromo-2-methyldodecan-4-yl)piperidine?
The InChIKey is PNEVUVIPPQKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrN/c1-4-5-6-8-11-17(19)15-18(14-16(2)3)20-12-9-7-10-13-20/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(6-bromo-2-methyldodecan-4-yl)piperidine?
1-(6-bromo-2-methyldodecan-4-yl)piperidine has a molecular weight of 346.40 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyldodecan-4-yl)piperidine is sourced from PubChem (CID 70540385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).