[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C12H19N3O2 — CID 43251608

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCN)CC2)o1
InChIInChI=1S/C12H19N3O2/c1-10-2-3-11(17-10)12(16)15-8-6-14(5-4-13)7-9-15/h2-3H,4-9,13H2,1H3
InChIKeyVQZODAQRCPWTOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.30
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 43251608) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID43251608
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCN)CC2)o1
InChIInChI=1S/C12H19N3O2/c1-10-2-3-11(17-10)12(16)15-8-6-14(5-4-13)7-9-15/h2-3H,4-9,13H2,1H3
InChIKeyVQZODAQRCPWTOS-UHFFFAOYSA-N
XLogP0.30
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.30
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]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 43251608) is [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(CCN)CC2)o1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is VQZODAQRCPWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-2-3-11(17-10)12(16)15-8-6-14(5-4-13)7-9-15/h2-3H,4-9,13H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.30, 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]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43251608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).