piperidin-4-ylmethyl formate

C7H13NO2 — CID 54527558

IUPACpiperidin-4-ylmethyl formate
SMILESO=COCC1CCNCC1
InChIInChI=1S/C7H13NO2/c9-6-10-5-7-1-3-8-4-2-7/h6-8H,1-5H2
InChIKeyJQHXALGCHSITGN-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds3

About piperidin-4-ylmethyl formate

piperidin-4-ylmethyl formate (PubChem CID 54527558) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is piperidin-4-ylmethyl formate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl formate
PubChem CID54527558
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepiperidin-4-ylmethyl formate
SMILESO=COCC1CCNCC1
InChIInChI=1S/C7H13NO2/c9-6-10-5-7-1-3-8-4-2-7/h6-8H,1-5H2
InChIKeyJQHXALGCHSITGN-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'}

Analyze piperidin-4-ylmethyl formate with MolForge

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

Launch Full Analysis

Related Compounds

4-(Methoxymethyl)piperidine
CID 4715283
Piperidin-4-ylmethyl acetate
CID 345948
Piperidin-4-ylmethyl carbamate
CID 19787931
2-Piperidin-3-ylethyl formate
CID 53783381
Piperidin-3-ylmethyl formate
CID 54226233
1-Piperidin-4-ylbutyl formate
CID 54248746
1-Piperidin-4-ylpropyl formate
CID 57005138
Formyl piperidine-4-carboxylate
CID 57302878
Piperidin-4-ylmethyl hydrogen carbonate
CID 60099381
Formaldehyde;4-(methoxymethyl)piperidine
CID 141788229
Ethane;ethyl formate;4-methylpiperidine
CID 144570473
(3-Methylpiperidin-4-yl)methyl formate
CID 146493499

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl formate?
The IUPAC name of piperidin-4-ylmethyl formate (CID 54527558) is piperidin-4-ylmethyl formate.
What is the SMILES notation for piperidin-4-ylmethyl formate?
The canonical SMILES for piperidin-4-ylmethyl formate is O=COCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl formate?
The InChIKey is JQHXALGCHSITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-6-10-5-7-1-3-8-4-2-7/h6-8H,1-5H2.
What are the key properties of piperidin-4-ylmethyl formate?
piperidin-4-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-4-ylmethyl formate is sourced from PubChem (CID 54527558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).