1-(3,5-dimethylpiperazin-1-yl)ethyl formate

C9H18N2O2 — CID 22330065

IUPAC1-(3,5-dimethylpiperazin-1-yl)ethyl formate
SMILESCC1CN(C(C)OC=O)CC(C)N1
InChIInChI=1S/C9H18N2O2/c1-7-4-11(5-8(2)10-7)9(3)13-6-12/h6-10H,4-5H2,1-3H3
InChIKeyRMUFSMYHVSNQRH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.19
Rot. Bonds3

About 1-(3,5-dimethylpiperazin-1-yl)ethyl formate

1-(3,5-dimethylpiperazin-1-yl)ethyl formate (PubChem CID 22330065) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)ethyl formate.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)ethyl formate
PubChem CID22330065
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)ethyl formate
SMILESCC1CN(C(C)OC=O)CC(C)N1
InChIInChI=1S/C9H18N2O2/c1-7-4-11(5-8(2)10-7)9(3)13-6-12/h6-10H,4-5H2,1-3H3
InChIKeyRMUFSMYHVSNQRH-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dimethylpiperazin-1-yl)ethyl formate?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)ethyl formate (CID 22330065) is 1-(3,5-dimethylpiperazin-1-yl)ethyl formate.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)ethyl formate?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)ethyl formate is CC1CN(C(C)OC=O)CC(C)N1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)ethyl formate?
The InChIKey is RMUFSMYHVSNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-4-11(5-8(2)10-7)9(3)13-6-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)ethyl formate?
1-(3,5-dimethylpiperazin-1-yl)ethyl formate has a molecular weight of 186.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)ethyl formate is sourced from PubChem (CID 22330065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).