1-benzyl-4,4-dimethoxypiperidine

C14H21NO2 — CID 563186

IUPAC1-benzyl-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyXKJSCXWZOVORMK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds4

About 1-benzyl-4,4-dimethoxypiperidine

1-benzyl-4,4-dimethoxypiperidine (PubChem CID 563186) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-benzyl-4,4-dimethoxypiperidine.

Molecular Properties

Compound Name1-benzyl-4,4-dimethoxypiperidine
PubChem CID563186
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-benzyl-4,4-dimethoxypiperidine
SMILESCOC1(OC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyXKJSCXWZOVORMK-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,4-dimethoxypiperidine?
The IUPAC name of 1-benzyl-4,4-dimethoxypiperidine (CID 563186) is 1-benzyl-4,4-dimethoxypiperidine.
What is the SMILES notation for 1-benzyl-4,4-dimethoxypiperidine?
The canonical SMILES for 1-benzyl-4,4-dimethoxypiperidine is COC1(OC)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4,4-dimethoxypiperidine?
The InChIKey is XKJSCXWZOVORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14(17-2)8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-4,4-dimethoxypiperidine?
1-benzyl-4,4-dimethoxypiperidine has a molecular weight of 235.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,4-dimethoxypiperidine is sourced from PubChem (CID 563186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).