2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline

C15H19N3O — CID 19626878

IUPAC2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H19N3O/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12,16H2
InChIKeyVHCPGLNWGSACPZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline

2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline (PubChem CID 19626878) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
PubChem CID19626878
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H19N3O/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12,16H2
InChIKeyVHCPGLNWGSACPZ-UHFFFAOYSA-N
XLogP2.18
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 56810604
2-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline
CID 118979228
2-[4-(2-bromophenyl)piperazin-1-yl]aniline
CID 117013639
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline (CID 19626878) is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline is Nc1ccccc1N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline?
The InChIKey is VHCPGLNWGSACPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12,16H2.
What are the key properties of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline?
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline has a molecular weight of 257.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 19626878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).