1-ethoxy-2,2-dimethylpiperidine

C9H19NO — CID 175368577

IUPAC1-ethoxy-2,2-dimethylpiperidine
SMILESCCON1CCCCC1(C)C
InChIInChI=1S/C9H19NO/c1-4-11-10-8-6-5-7-9(10,2)3/h4-8H2,1-3H3
InChIKeyYKJAYKDOAPQABD-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.20
Rot. Bonds2

About 1-ethoxy-2,2-dimethylpiperidine

1-ethoxy-2,2-dimethylpiperidine (PubChem CID 175368577) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethoxy-2,2-dimethylpiperidine.

Molecular Properties

Compound Name1-ethoxy-2,2-dimethylpiperidine
PubChem CID175368577
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethoxy-2,2-dimethylpiperidine
SMILESCCON1CCCCC1(C)C
InChIInChI=1S/C9H19NO/c1-4-11-10-8-6-5-7-9(10,2)3/h4-8H2,1-3H3
InChIKeyYKJAYKDOAPQABD-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2-dimethylpiperidine?
The IUPAC name of 1-ethoxy-2,2-dimethylpiperidine (CID 175368577) is 1-ethoxy-2,2-dimethylpiperidine.
What is the SMILES notation for 1-ethoxy-2,2-dimethylpiperidine?
The canonical SMILES for 1-ethoxy-2,2-dimethylpiperidine is CCON1CCCCC1(C)C.
What is the InChIKey of 1-ethoxy-2,2-dimethylpiperidine?
The InChIKey is YKJAYKDOAPQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-11-10-8-6-5-7-9(10,2)3/h4-8H2,1-3H3.
What are the key properties of 1-ethoxy-2,2-dimethylpiperidine?
1-ethoxy-2,2-dimethylpiperidine has a molecular weight of 157.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-dimethylpiperidine is sourced from PubChem (CID 175368577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).