ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate

C14H25NO3 — CID 64539283

IUPACethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)12-14(6-10-17-11-7-14)15-8-4-3-5-9-15/h2-12H2,1H3
InChIKeyKWZUBWLTNOLRRV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate

ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate (PubChem CID 64539283) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
PubChem CID64539283
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)12-14(6-10-17-11-7-14)15-8-4-3-5-9-15/h2-12H2,1H3
InChIKeyKWZUBWLTNOLRRV-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate?
The IUPAC name of ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate (CID 64539283) is ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate is CCOC(=O)CC1(N2CCCCC2)CCOCC1.
What is the InChIKey of ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate?
The InChIKey is KWZUBWLTNOLRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-13(16)12-14(6-10-17-11-7-14)15-8-4-3-5-9-15/h2-12H2,1H3.
What are the key properties of ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate?
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate has a molecular weight of 255.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate is sourced from PubChem (CID 64539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).