4-(1-bromopentyl)piperidine

C10H20BrN — CID 151579428

IUPAC4-(1-bromopentyl)piperidine
SMILESCCCCC(Br)C1CCNCC1
InChIInChI=1S/C10H20BrN/c1-2-3-4-10(11)9-5-7-12-8-6-9/h9-10,12H,2-8H2,1H3
InChIKeyQGDWDLZBNVGMIO-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.94
Rot. Bonds4

About 4-(1-bromopentyl)piperidine

4-(1-bromopentyl)piperidine (PubChem CID 151579428) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-(1-bromopentyl)piperidine.

Molecular Properties

Compound Name4-(1-bromopentyl)piperidine
PubChem CID151579428
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name4-(1-bromopentyl)piperidine
SMILESCCCCC(Br)C1CCNCC1
InChIInChI=1S/C10H20BrN/c1-2-3-4-10(11)9-5-7-12-8-6-9/h9-10,12H,2-8H2,1H3
InChIKeyQGDWDLZBNVGMIO-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromopentyl)piperidine?
The IUPAC name of 4-(1-bromopentyl)piperidine (CID 151579428) is 4-(1-bromopentyl)piperidine.
What is the SMILES notation for 4-(1-bromopentyl)piperidine?
The canonical SMILES for 4-(1-bromopentyl)piperidine is CCCCC(Br)C1CCNCC1.
What is the InChIKey of 4-(1-bromopentyl)piperidine?
The InChIKey is QGDWDLZBNVGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-2-3-4-10(11)9-5-7-12-8-6-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-(1-bromopentyl)piperidine?
4-(1-bromopentyl)piperidine has a molecular weight of 234.18 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromopentyl)piperidine is sourced from PubChem (CID 151579428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).