1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine

C13H24BrN — CID 65013559

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
SMILESCCCC1CCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C13H24BrN/c1-2-3-12-4-8-15(9-5-12)11-13(10-14)6-7-13/h12H,2-11H2,1H3
InChIKeyXDLMBRBLWYEFDR-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.67
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine (PubChem CID 65013559) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
PubChem CID65013559
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
SMILESCCCC1CCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C13H24BrN/c1-2-3-12-4-8-15(9-5-12)11-13(10-14)6-7-13/h12H,2-11H2,1H3
InChIKeyXDLMBRBLWYEFDR-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
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 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine (CID 65013559) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine is CCCC1CCN(CC2(CBr)CC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine?
The InChIKey is XDLMBRBLWYEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-2-3-12-4-8-15(9-5-12)11-13(10-14)6-7-13/h12H,2-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine?
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine has a molecular weight of 274.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine is sourced from PubChem (CID 65013559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).