2-(4-formylpiperazin-1-yl)ethyl formate

C8H14N2O3 — CID 13468187

IUPAC2-(4-formylpiperazin-1-yl)ethyl formate
SMILESO=COCCN1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c11-7-10-3-1-9(2-4-10)5-6-13-8-12/h7-8H,1-6H2
InChIKeyPTQQEWVXTSWSPT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.07
Rot. Bonds5

About 2-(4-formylpiperazin-1-yl)ethyl formate

2-(4-formylpiperazin-1-yl)ethyl formate (PubChem CID 13468187) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)ethyl formate
PubChem CID13468187
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(4-formylpiperazin-1-yl)ethyl formate
SMILESO=COCCN1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c11-7-10-3-1-9(2-4-10)5-6-13-8-12/h7-8H,1-6H2
InChIKeyPTQQEWVXTSWSPT-UHFFFAOYSA-N
XLogP-1.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
CID 143019040
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
3-piperidin-1-ylpropyl formate
CID 54144211
1,4-bis(2-ethenoxyethyl)piperazine
CID 71333748
4-(methoxymethyl)piperazine-1-carbaldehyde
CID 89339450
2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
CID 174476285
2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate
CID 174619182
4-piperazin-1-ylbutyl formate;hydrochloride
CID 174611710
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)ethyl formate?
The IUPAC name of 2-(4-formylpiperazin-1-yl)ethyl formate (CID 13468187) is 2-(4-formylpiperazin-1-yl)ethyl formate.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)ethyl formate?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)ethyl formate is O=COCCN1CCN(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)ethyl formate?
The InChIKey is PTQQEWVXTSWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7-10-3-1-9(2-4-10)5-6-13-8-12/h7-8H,1-6H2.
What are the key properties of 2-(4-formylpiperazin-1-yl)ethyl formate?
2-(4-formylpiperazin-1-yl)ethyl formate has a molecular weight of 186.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)ethyl formate is sourced from PubChem (CID 13468187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).