[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone

C11H21N3O2 — CID 114824171

IUPAC[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCNCC2CN)CO1
InChIInChI=1S/C11H21N3O2/c1-8-4-9(7-16-8)11(15)14-3-2-13-6-10(14)5-12/h8-10,13H,2-7,12H2,1H3
InChIKeyJRCIIRASABNFBB-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.83
Rot. Bonds2

About [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone

[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (PubChem CID 114824171) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
PubChem CID114824171
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCNCC2CN)CO1
InChIInChI=1S/C11H21N3O2/c1-8-4-9(7-16-8)11(15)14-3-2-13-6-10(14)5-12/h8-10,13H,2-7,12H2,1H3
InChIKeyJRCIIRASABNFBB-UHFFFAOYSA-N
XLogP-0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone (CID 114824171) is [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCNCC2CN)CO1.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
The InChIKey is JRCIIRASABNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-4-9(7-16-8)11(15)14-3-2-13-6-10(14)5-12/h8-10,13H,2-7,12H2,1H3.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone?
[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).