piperidin-3-ylmethyl formate

C7H13NO2 — CID 54226233

IUPACpiperidin-3-ylmethyl formate
SMILESO=COCC1CCCNC1
InChIInChI=1S/C7H13NO2/c9-6-10-5-7-2-1-3-8-4-7/h6-8H,1-5H2
InChIKeyVDYKZNMRJXKYPO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds3

About piperidin-3-ylmethyl formate

piperidin-3-ylmethyl formate (PubChem CID 54226233) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is piperidin-3-ylmethyl formate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl formate
PubChem CID54226233
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepiperidin-3-ylmethyl formate
SMILESO=COCC1CCCNC1
InChIInChI=1S/C7H13NO2/c9-6-10-5-7-2-1-3-8-4-7/h6-8H,1-5H2
InChIKeyVDYKZNMRJXKYPO-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
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-3-ylmethyl formate?
The IUPAC name of piperidin-3-ylmethyl formate (CID 54226233) is piperidin-3-ylmethyl formate.
What is the SMILES notation for piperidin-3-ylmethyl formate?
The canonical SMILES for piperidin-3-ylmethyl formate is O=COCC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethyl formate?
The InChIKey is VDYKZNMRJXKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-6-10-5-7-2-1-3-8-4-7/h6-8H,1-5H2.
What are the key properties of piperidin-3-ylmethyl formate?
piperidin-3-ylmethyl formate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl formate is sourced from PubChem (CID 54226233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).