ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate

C18H28N2O4 — CID 157278253

IUPACethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
SMILESCCOC(=O)CC1CCNCC1.CCOC(=O)Cc1ccncc1
InChIInChI=1S/C9H17NO2.C9H11NO2/c2*1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3;3-6H,2,7H2,1H3
InChIKeyAZIXMAPDCZFRIS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate

ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate (PubChem CID 157278253) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
PubChem CID157278253
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nameethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
SMILESCCOC(=O)CC1CCNCC1.CCOC(=O)Cc1ccncc1
InChIInChI=1S/C9H17NO2.C9H11NO2/c2*1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3;3-6H,2,7H2,1H3
InChIKeyAZIXMAPDCZFRIS-UHFFFAOYSA-N
XLogP2.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate?
The IUPAC name of ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate (CID 157278253) is ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate.
What is the SMILES notation for ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate?
The canonical SMILES for ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate is CCOC(=O)CC1CCNCC1.CCOC(=O)Cc1ccncc1.
What is the InChIKey of ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate?
The InChIKey is AZIXMAPDCZFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C9H11NO2/c2*1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3;3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate?
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate has a molecular weight of 336.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate is sourced from PubChem (CID 157278253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).