2-piperidin-1-ylacetate

C7H12NO2- — CID 18315696

IUPAC2-piperidin-1-ylacetate
SMILESO=C([O-])CN1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)/p-1
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-M
MW142.18 g/mol
LogP-0.78
Rot. Bonds2

About 2-piperidin-1-ylacetate

2-piperidin-1-ylacetate (PubChem CID 18315696) has the molecular formula C7H12NO2- and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2-piperidin-1-ylacetate
PubChem CID18315696
Molecular FormulaC7H12NO2-
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-piperidin-1-ylacetate
SMILESO=C([O-])CN1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)/p-1
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-M
XLogP-0.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylacetate?
The IUPAC name of 2-piperidin-1-ylacetate (CID 18315696) is 2-piperidin-1-ylacetate.
What is the SMILES notation for 2-piperidin-1-ylacetate?
The canonical SMILES for 2-piperidin-1-ylacetate is O=C([O-])CN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylacetate?
The InChIKey is VRDBIJCCXDEZJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)/p-1.
What are the key properties of 2-piperidin-1-ylacetate?
2-piperidin-1-ylacetate has a molecular weight of 142.18 g/mol, XLogP of -0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylacetate is sourced from PubChem (CID 18315696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).