acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine

C16H28N2O2 — CID 159851935

IUPACacetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine
SMILESCC(=O)O.CC1CCCNC1C.Cc1cccnc1C
InChIInChI=1S/C7H15N.C7H9N.C2H4O2/c2*1-6-4-3-5-8-7(6)2;1-2(3)4/h6-8H,3-5H2,1-2H3;3-5H,1-2H3;1H3,(H,3,4)
InChIKeyVQGZDAMYYZNJFR-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.18
Rot. Bonds

About acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine

acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine (PubChem CID 159851935) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine.

Molecular Properties

Compound Nameacetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine
PubChem CID159851935
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameacetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine
SMILESCC(=O)O.CC1CCCNC1C.Cc1cccnc1C
InChIInChI=1S/C7H15N.C7H9N.C2H4O2/c2*1-6-4-3-5-8-7(6)2;1-2(3)4/h6-8H,3-5H2,1-2H3;3-5H,1-2H3;1H3,(H,3,4)
InChIKeyVQGZDAMYYZNJFR-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine?
The IUPAC name of acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine (CID 159851935) is acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine.
What is the SMILES notation for acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine?
The canonical SMILES for acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine is CC(=O)O.CC1CCCNC1C.Cc1cccnc1C.
What is the InChIKey of acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine?
The InChIKey is VQGZDAMYYZNJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H9N.C2H4O2/c2*1-6-4-3-5-8-7(6)2;1-2(3)4/h6-8H,3-5H2,1-2H3;3-5H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine?
acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine has a molecular weight of 280.41 g/mol, XLogP of 3.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3-dimethylpiperidine;2,3-dimethylpyridine is sourced from PubChem (CID 159851935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).