2,2-dimethoxy-1-piperidin-1-ylethanone

C9H17NO3 — CID 10856222

IUPAC2,2-dimethoxy-1-piperidin-1-ylethanone
SMILESCOC(OC)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKeyWQAKEXCQFZNEFH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds3

About 2,2-dimethoxy-1-piperidin-1-ylethanone

2,2-dimethoxy-1-piperidin-1-ylethanone (PubChem CID 10856222) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2-dimethoxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2,2-dimethoxy-1-piperidin-1-ylethanone
PubChem CID10856222
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2,2-dimethoxy-1-piperidin-1-ylethanone
SMILESCOC(OC)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKeyWQAKEXCQFZNEFH-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-piperidin-1-ylethanone?
The IUPAC name of 2,2-dimethoxy-1-piperidin-1-ylethanone (CID 10856222) is 2,2-dimethoxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2,2-dimethoxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2,2-dimethoxy-1-piperidin-1-ylethanone is COC(OC)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-dimethoxy-1-piperidin-1-ylethanone?
The InChIKey is WQAKEXCQFZNEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethoxy-1-piperidin-1-ylethanone?
2,2-dimethoxy-1-piperidin-1-ylethanone has a molecular weight of 187.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 10856222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).