1-piperidin-4-ylbutyl formate

C10H19NO2 — CID 54248746

IUPAC1-piperidin-4-ylbutyl formate
SMILESCCCC(OC=O)C1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-3-10(13-8-12)9-4-6-11-7-5-9/h8-11H,2-7H2,1H3
InChIKeyLHEACZOIMUTTRF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds5

About 1-piperidin-4-ylbutyl formate

1-piperidin-4-ylbutyl formate (PubChem CID 54248746) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-piperidin-4-ylbutyl formate.

Molecular Properties

Compound Name1-piperidin-4-ylbutyl formate
PubChem CID54248746
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-piperidin-4-ylbutyl formate
SMILESCCCC(OC=O)C1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-3-10(13-8-12)9-4-6-11-7-5-9/h8-11H,2-7H2,1H3
InChIKeyLHEACZOIMUTTRF-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-piperidin-4-ylbutyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylbutyl formate?
The IUPAC name of 1-piperidin-4-ylbutyl formate (CID 54248746) is 1-piperidin-4-ylbutyl formate.
What is the SMILES notation for 1-piperidin-4-ylbutyl formate?
The canonical SMILES for 1-piperidin-4-ylbutyl formate is CCCC(OC=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylbutyl formate?
The InChIKey is LHEACZOIMUTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-10(13-8-12)9-4-6-11-7-5-9/h8-11H,2-7H2,1H3.
What are the key properties of 1-piperidin-4-ylbutyl formate?
1-piperidin-4-ylbutyl formate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylbutyl formate is sourced from PubChem (CID 54248746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).