4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

C20H24N+ — CID 6127

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IUPAC4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
SMILESC[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
InChIKeyLCTZPQRFOZKZNK-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.36
Rot. Bonds2

About 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

4-benzhydrylidene-1,1-dimethylpiperidin-1-ium (PubChem CID 6127) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
PubChem CID6127
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Name4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
SMILESC[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
InChIKeyLCTZPQRFOZKZNK-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium?
The IUPAC name of 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium (CID 6127) is 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium.
What is the SMILES notation for 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium?
The canonical SMILES for 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium is C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium?
The InChIKey is LCTZPQRFOZKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1.
What are the key properties of 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium?
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium has a molecular weight of 278.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium is sourced from PubChem (CID 6127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).