1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine

C13H26BrNO — CID 65010952

IUPAC1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
SMILESCCCC(CBr)CN1CCCC(OCC)C1
InChIInChI=1S/C13H26BrNO/c1-3-6-12(9-14)10-15-8-5-7-13(11-15)16-4-2/h12-13H,3-11H2,1-2H3
InChIKeyIKMVFDUVZIYQCX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.30
Rot. Bonds7

About 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine

1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine (PubChem CID 65010952) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
PubChem CID65010952
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
SMILESCCCC(CBr)CN1CCCC(OCC)C1
InChIInChI=1S/C13H26BrNO/c1-3-6-12(9-14)10-15-8-5-7-13(11-15)16-4-2/h12-13H,3-11H2,1-2H3
InChIKeyIKMVFDUVZIYQCX-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65448874
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
1-[2-(bromomethyl)pentyl]-2-methylpiperidine
CID 65011001
2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
1-(3-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 102965544
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
CID 64827022
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine (CID 65010952) is 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine is CCCC(CBr)CN1CCCC(OCC)C1.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine?
The InChIKey is IKMVFDUVZIYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-3-6-12(9-14)10-15-8-5-7-13(11-15)16-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine?
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine has a molecular weight of 292.26 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine is sourced from PubChem (CID 65010952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).