acetic acid;1,2-dimethylpiperidine

C9H19NO2 — CID 67754112

IUPACacetic acid;1,2-dimethylpiperidine
SMILESCC(=O)O.CC1CCCCN1C
InChIInChI=1S/C7H15N.C2H4O2/c1-7-5-3-4-6-8(7)2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyXLPOTGQPSAMRLQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds

About acetic acid;1,2-dimethylpiperidine

acetic acid;1,2-dimethylpiperidine (PubChem CID 67754112) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is acetic acid;1,2-dimethylpiperidine.

Molecular Properties

Compound Nameacetic acid;1,2-dimethylpiperidine
PubChem CID67754112
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameacetic acid;1,2-dimethylpiperidine
SMILESCC(=O)O.CC1CCCCN1C
InChIInChI=1S/C7H15N.C2H4O2/c1-7-5-3-4-6-8(7)2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyXLPOTGQPSAMRLQ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-dimethylpiperidine?
The IUPAC name of acetic acid;1,2-dimethylpiperidine (CID 67754112) is acetic acid;1,2-dimethylpiperidine.
What is the SMILES notation for acetic acid;1,2-dimethylpiperidine?
The canonical SMILES for acetic acid;1,2-dimethylpiperidine is CC(=O)O.CC1CCCCN1C.
What is the InChIKey of acetic acid;1,2-dimethylpiperidine?
The InChIKey is XLPOTGQPSAMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H4O2/c1-7-5-3-4-6-8(7)2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,2-dimethylpiperidine?
acetic acid;1,2-dimethylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-dimethylpiperidine is sourced from PubChem (CID 67754112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).