4-(4-bromobutyl)-1-methylpiperidine

C10H20BrN — CID 23033956

IUPAC4-(4-bromobutyl)-1-methylpiperidine
SMILESCN1CCC(CCCCBr)CC1
InChIInChI=1S/C10H20BrN/c1-12-8-5-10(6-9-12)4-2-3-7-11/h10H,2-9H2,1H3
InChIKeyBNZFEUQCOYHCPP-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds4

About 4-(4-bromobutyl)-1-methylpiperidine

4-(4-bromobutyl)-1-methylpiperidine (PubChem CID 23033956) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-(4-bromobutyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromobutyl)-1-methylpiperidine
PubChem CID23033956
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name4-(4-bromobutyl)-1-methylpiperidine
SMILESCN1CCC(CCCCBr)CC1
InChIInChI=1S/C10H20BrN/c1-12-8-5-10(6-9-12)4-2-3-7-11/h10H,2-9H2,1H3
InChIKeyBNZFEUQCOYHCPP-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
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 4-(4-bromobutyl)-1-methylpiperidine?
The IUPAC name of 4-(4-bromobutyl)-1-methylpiperidine (CID 23033956) is 4-(4-bromobutyl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromobutyl)-1-methylpiperidine?
The canonical SMILES for 4-(4-bromobutyl)-1-methylpiperidine is CN1CCC(CCCCBr)CC1.
What is the InChIKey of 4-(4-bromobutyl)-1-methylpiperidine?
The InChIKey is BNZFEUQCOYHCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-12-8-5-10(6-9-12)4-2-3-7-11/h10H,2-9H2,1H3.
What are the key properties of 4-(4-bromobutyl)-1-methylpiperidine?
4-(4-bromobutyl)-1-methylpiperidine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutyl)-1-methylpiperidine is sourced from PubChem (CID 23033956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).