3-(10-bromodecyl)-1-methylpiperidine

C16H32BrN — CID 150764926

IUPAC3-(10-bromodecyl)-1-methylpiperidine
SMILESCN1CCCC(CCCCCCCCCCBr)C1
InChIInChI=1S/C16H32BrN/c1-18-14-10-12-16(15-18)11-8-6-4-2-3-5-7-9-13-17/h16H,2-15H2,1H3
InChIKeyJYPPRTOAAMXDNM-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.23
Rot. Bonds10

About 3-(10-bromodecyl)-1-methylpiperidine

3-(10-bromodecyl)-1-methylpiperidine (PubChem CID 150764926) has the molecular formula C16H32BrN and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(10-bromodecyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(10-bromodecyl)-1-methylpiperidine
PubChem CID150764926
Molecular FormulaC16H32BrN
Molecular Weight318.34 g/mol
Exact Mass317.17
IUPAC Name3-(10-bromodecyl)-1-methylpiperidine
SMILESCN1CCCC(CCCCCCCCCCBr)C1
InChIInChI=1S/C16H32BrN/c1-18-14-10-12-16(15-18)11-8-6-4-2-3-5-7-9-13-17/h16H,2-15H2,1H3
InChIKeyJYPPRTOAAMXDNM-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.23
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 3-(10-bromodecyl)-1-methylpiperidine?
The IUPAC name of 3-(10-bromodecyl)-1-methylpiperidine (CID 150764926) is 3-(10-bromodecyl)-1-methylpiperidine.
What is the SMILES notation for 3-(10-bromodecyl)-1-methylpiperidine?
The canonical SMILES for 3-(10-bromodecyl)-1-methylpiperidine is CN1CCCC(CCCCCCCCCCBr)C1.
What is the InChIKey of 3-(10-bromodecyl)-1-methylpiperidine?
The InChIKey is JYPPRTOAAMXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrN/c1-18-14-10-12-16(15-18)11-8-6-4-2-3-5-7-9-13-17/h16H,2-15H2,1H3.
What are the key properties of 3-(10-bromodecyl)-1-methylpiperidine?
3-(10-bromodecyl)-1-methylpiperidine has a molecular weight of 318.34 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-bromodecyl)-1-methylpiperidine is sourced from PubChem (CID 150764926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).