piperidin-1-ylmethyl formate

C14H26N2O4 — CID 123375433

IUPACpiperidin-1-ylmethyl formate
SMILESO=COCN1CCCCC1.O=COCN1CCCCC1
InChIInChI=1S/2C7H13NO2/c2*9-7-10-6-8-4-2-1-3-5-8/h2*7H,1-6H2
InChIKeyLKTUOUWJJUOWTA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.21
Rot. Bonds6

About piperidin-1-ylmethyl formate

piperidin-1-ylmethyl formate (PubChem CID 123375433) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is piperidin-1-ylmethyl formate.

Molecular Properties

Compound Namepiperidin-1-ylmethyl formate
PubChem CID123375433
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namepiperidin-1-ylmethyl formate
SMILESO=COCN1CCCCC1.O=COCN1CCCCC1
InChIInChI=1S/2C7H13NO2/c2*9-7-10-6-8-4-2-1-3-5-8/h2*7H,1-6H2
InChIKeyLKTUOUWJJUOWTA-UHFFFAOYSA-N
XLogP1.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-piperidinium diformate
CID 134716274
Di(piperidin-1-yl)carbamoyl formate
CID 53683305
1-(Piperidin-1-ylmethoxymethoxymethyl)piperidine
CID 66661195
Piperidin-1-ylmethyl piperidine-1-carboxylate
CID 71091864
(1-Methylpiperidin-1-ium-1-yl)methyl formate
CID 89745161
Ethyl formate;1-methyl-4-piperidin-1-ylpiperidine
CID 144044028
Methyl formate;1-methylpiperidine
CID 144229565

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethyl formate?
The IUPAC name of piperidin-1-ylmethyl formate (CID 123375433) is piperidin-1-ylmethyl formate.
What is the SMILES notation for piperidin-1-ylmethyl formate?
The canonical SMILES for piperidin-1-ylmethyl formate is O=COCN1CCCCC1.O=COCN1CCCCC1.
What is the InChIKey of piperidin-1-ylmethyl formate?
The InChIKey is LKTUOUWJJUOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO2/c2*9-7-10-6-8-4-2-1-3-5-8/h2*7H,1-6H2.
What are the key properties of piperidin-1-ylmethyl formate?
piperidin-1-ylmethyl formate has a molecular weight of 286.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethyl formate is sourced from PubChem (CID 123375433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).