3,3-dimethyl-1-(2-undecoxyethyl)piperidine

C20H41NO — CID 22091456

IUPAC3,3-dimethyl-1-(2-undecoxyethyl)piperidine
SMILESCCCCCCCCCCCOCCN1CCCC(C)(C)C1
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-17-22-18-16-21-15-13-14-20(2,3)19-21/h4-19H2,1-3H3
InChIKeyVBXFYMKRGIUXBL-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.66
Rot. Bonds13

About 3,3-dimethyl-1-(2-undecoxyethyl)piperidine

3,3-dimethyl-1-(2-undecoxyethyl)piperidine (PubChem CID 22091456) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-undecoxyethyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-undecoxyethyl)piperidine
PubChem CID22091456
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name3,3-dimethyl-1-(2-undecoxyethyl)piperidine
SMILESCCCCCCCCCCCOCCN1CCCC(C)(C)C1
InChIInChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-17-22-18-16-21-15-13-14-20(2,3)19-21/h4-19H2,1-3H3
InChIKeyVBXFYMKRGIUXBL-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-undecoxyethyl)piperidine?
The IUPAC name of 3,3-dimethyl-1-(2-undecoxyethyl)piperidine (CID 22091456) is 3,3-dimethyl-1-(2-undecoxyethyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(2-undecoxyethyl)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(2-undecoxyethyl)piperidine is CCCCCCCCCCCOCCN1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-undecoxyethyl)piperidine?
The InChIKey is VBXFYMKRGIUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-17-22-18-16-21-15-13-14-20(2,3)19-21/h4-19H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-undecoxyethyl)piperidine?
3,3-dimethyl-1-(2-undecoxyethyl)piperidine has a molecular weight of 311.55 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-undecoxyethyl)piperidine is sourced from PubChem (CID 22091456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).