4-(6-bromohexyl)piperidine

C11H22BrN — CID 54048300

IUPAC4-(6-bromohexyl)piperidine
SMILESBrCCCCCCC1CCNCC1
InChIInChI=1S/C11H22BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h11,13H,1-10H2
InChIKeyLRCLDSLXSLZDGG-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.33
Rot. Bonds6

About 4-(6-bromohexyl)piperidine

4-(6-bromohexyl)piperidine (PubChem CID 54048300) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-(6-bromohexyl)piperidine.

Molecular Properties

Compound Name4-(6-bromohexyl)piperidine
PubChem CID54048300
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name4-(6-bromohexyl)piperidine
SMILESBrCCCCCCC1CCNCC1
InChIInChI=1S/C11H22BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h11,13H,1-10H2
InChIKeyLRCLDSLXSLZDGG-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
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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Related Compounds

4-Pentylpiperidine
CID 407054
4-Octylpiperidine
CID 407323
3-Hexylpiperidine
CID 18995310
4-Hexylpiperidine
CID 19069787
3-Isopentylpiperidine
CID 53409753
3-Pentylpiperidine
CID 53741424
2-(3-Bromo-2-methylpropyl)piperidine
CID 134926886
4-(4-Bromobutyl)piperidine
CID 2784663
(3S,5R)-3-ethyl-5-pentylpiperidine
CID 10285844
4-(3-Bromopropyl)piperidine
CID 13503214
4-(3-Bromopropyl)piperidine hydrobromide
CID 13503215
9-(Bromomethyl)-3-azaspiro[5.5]undecane
CID 20295361

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromohexyl)piperidine?
The IUPAC name of 4-(6-bromohexyl)piperidine (CID 54048300) is 4-(6-bromohexyl)piperidine.
What is the SMILES notation for 4-(6-bromohexyl)piperidine?
The canonical SMILES for 4-(6-bromohexyl)piperidine is BrCCCCCCC1CCNCC1.
What is the InChIKey of 4-(6-bromohexyl)piperidine?
The InChIKey is LRCLDSLXSLZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h11,13H,1-10H2.
What are the key properties of 4-(6-bromohexyl)piperidine?
4-(6-bromohexyl)piperidine has a molecular weight of 248.21 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexyl)piperidine is sourced from PubChem (CID 54048300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).