piperidin-4-yl formate

C6H11NO2 — CID 21220181

IUPACpiperidin-4-yl formate
SMILESO=COC1CCNCC1
InChIInChI=1S/C6H11NO2/c8-5-9-6-1-3-7-4-2-6/h5-7H,1-4H2
InChIKeyMDYOSRGLCBIGKG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds2

About piperidin-4-yl formate

piperidin-4-yl formate (PubChem CID 21220181) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidin-4-yl formate.

Molecular Properties

Compound Namepiperidin-4-yl formate
PubChem CID21220181
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidin-4-yl formate
SMILESO=COC1CCNCC1
InChIInChI=1S/C6H11NO2/c8-5-9-6-1-3-7-4-2-6/h5-7H,1-4H2
InChIKeyMDYOSRGLCBIGKG-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl formate?
The IUPAC name of piperidin-4-yl formate (CID 21220181) is piperidin-4-yl formate.
What is the SMILES notation for piperidin-4-yl formate?
The canonical SMILES for piperidin-4-yl formate is O=COC1CCNCC1.
What is the InChIKey of piperidin-4-yl formate?
The InChIKey is MDYOSRGLCBIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-9-6-1-3-7-4-2-6/h5-7H,1-4H2.
What are the key properties of piperidin-4-yl formate?
piperidin-4-yl formate has a molecular weight of 129.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl formate is sourced from PubChem (CID 21220181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).