1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone

C13H19N3O — CID 113415473

IUPAC1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
SMILESNCC1CNCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H19N3O/c14-9-12-10-15-6-7-16(12)13(17)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10,14H2
InChIKeyQWOLASRTVINNPT-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.01
Rot. Bonds3

About 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone

1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 113415473) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
PubChem CID113415473
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
SMILESNCC1CNCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C13H19N3O/c14-9-12-10-15-6-7-16(12)13(17)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10,14H2
InChIKeyQWOLASRTVINNPT-UHFFFAOYSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
CID 68669114
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
CID 16752759
benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone (CID 113415473) is 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone is NCC1CNCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is QWOLASRTVINNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-12-10-15-6-7-16(12)13(17)8-11-4-2-1-3-5-11/h1-5,12,15H,6-10,14H2.
What are the key properties of 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone?
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 233.31 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113415473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).