1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine

C14H26BrNO — CID 65002170

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(CC2(CBr)CCCCC2)CC1
InChIInChI=1S/C14H26BrNO/c1-17-13-5-9-16(10-6-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyAZQXRJGEUNZIGO-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.44
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine (PubChem CID 65002170) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
PubChem CID65002170
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(CC2(CBr)CCCCC2)CC1
InChIInChI=1S/C14H26BrNO/c1-17-13-5-9-16(10-6-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyAZQXRJGEUNZIGO-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)cyclohexyl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine (CID 65002170) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine is COC1CCN(CC2(CBr)CCCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine?
The InChIKey is AZQXRJGEUNZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-17-13-5-9-16(10-6-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine?
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine has a molecular weight of 304.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 65002170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).