1-piperidin-4-ylpropyl formate

C9H17NO2 — CID 57005138

IUPAC1-piperidin-4-ylpropyl formate
SMILESCCC(OC=O)C1CCNCC1
InChIInChI=1S/C9H17NO2/c1-2-9(12-7-11)8-3-5-10-6-4-8/h7-10H,2-6H2,1H3
InChIKeyQSXJZBNWVRUKGN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds4

About 1-piperidin-4-ylpropyl formate

1-piperidin-4-ylpropyl formate (PubChem CID 57005138) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-piperidin-4-ylpropyl formate.

Molecular Properties

Compound Name1-piperidin-4-ylpropyl formate
PubChem CID57005138
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-piperidin-4-ylpropyl formate
SMILESCCC(OC=O)C1CCNCC1
InChIInChI=1S/C9H17NO2/c1-2-9(12-7-11)8-3-5-10-6-4-8/h7-10H,2-6H2,1H3
InChIKeyQSXJZBNWVRUKGN-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
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 1-piperidin-4-ylpropyl formate?
The IUPAC name of 1-piperidin-4-ylpropyl formate (CID 57005138) is 1-piperidin-4-ylpropyl formate.
What is the SMILES notation for 1-piperidin-4-ylpropyl formate?
The canonical SMILES for 1-piperidin-4-ylpropyl formate is CCC(OC=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpropyl formate?
The InChIKey is QSXJZBNWVRUKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(12-7-11)8-3-5-10-6-4-8/h7-10H,2-6H2,1H3.
What are the key properties of 1-piperidin-4-ylpropyl formate?
1-piperidin-4-ylpropyl formate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpropyl formate is sourced from PubChem (CID 57005138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).