[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone

C12H23N3O2 — CID 79750219

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C12H23N3O2/c1-10-11(2-9-17-10)12(16)15-7-5-14(4-3-13)6-8-15/h10-11H,2-9,13H2,1H3
InChIKeyWOODMHQDDVDTCW-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone (PubChem CID 79750219) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
PubChem CID79750219
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C12H23N3O2/c1-10-11(2-9-17-10)12(16)15-7-5-14(4-3-13)6-8-15/h10-11H,2-9,13H2,1H3
InChIKeyWOODMHQDDVDTCW-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone (CID 79750219) is [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCN(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone?
The InChIKey is WOODMHQDDVDTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-11(2-9-17-10)12(16)15-7-5-14(4-3-13)6-8-15/h10-11H,2-9,13H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79750219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).