2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone

C17H25N3O — CID 63589421

IUPAC2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
SMILESNCc1ccc(CC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c18-12-15-3-1-14(2-4-15)11-17(21)20-9-7-19(8-10-20)13-16-5-6-16/h1-4,16H,5-13,18H2
InChIKeyFUZOZONKUMTXAF-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone

2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone (PubChem CID 63589421) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
PubChem CID63589421
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
SMILESNCc1ccc(CC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c18-12-15-3-1-14(2-4-15)11-17(21)20-9-7-19(8-10-20)13-16-5-6-16/h1-4,16H,5-13,18H2
InChIKeyFUZOZONKUMTXAF-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone (CID 63589421) is 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone is NCc1ccc(CC(=O)N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FUZOZONKUMTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-12-15-3-1-14(2-4-15)11-17(21)20-9-7-19(8-10-20)13-16-5-6-16/h1-4,16H,5-13,18H2.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 63589421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).