1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione

C14H19N3O2 — CID 79936780

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2ccc(CN)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-2-16-9-14(19)17(10-13(16)18)8-12-5-3-11(7-15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyMRYLNHAQMNLPAT-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.34
Rot. Bonds4

About 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione

1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione (PubChem CID 79936780) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione
PubChem CID79936780
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2ccc(CN)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-2-16-9-14(19)17(10-13(16)18)8-12-5-3-11(7-15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyMRYLNHAQMNLPAT-UHFFFAOYSA-N
XLogP0.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione (CID 79936780) is 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(Cc2ccc(CN)cc2)CC1=O.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is MRYLNHAQMNLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-9-14(19)17(10-13(16)18)8-12-5-3-11(7-15)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione?
1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 261.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79936780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).