[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone

C14H21N3O — CID 82546965

IUPAC[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2CN)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-7-9-17(10-8-16)14(18)13-6-4-3-5-12(13)11-15/h3-6H,2,7-11,15H2,1H3
InChIKeyUVVNZRUTVLSLKP-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.92
Rot. Bonds3

About [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone

[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 82546965) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID82546965
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2CN)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-7-9-17(10-8-16)14(18)13-6-4-3-5-12(13)11-15/h3-6H,2,7-11,15H2,1H3
InChIKeyUVVNZRUTVLSLKP-UHFFFAOYSA-N
XLogP0.92
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
1-[2-(aminomethyl)phenyl]-4-(4-butylpiperazin-1-yl)butan-1-one
CID 151007578
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 78774106
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 82546965) is [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccccc2CN)CC1.
What is the InChIKey of [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UVVNZRUTVLSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-7-9-17(10-8-16)14(18)13-6-4-3-5-12(13)11-15/h3-6H,2,7-11,15H2,1H3.
What are the key properties of [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82546965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).