N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C15H17Br2N3O — CID 62084118

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESBrc1cc(CNC2CCN(c3ccccn3)CC2)oc1Br
InChIInChI=1S/C15H17Br2N3O/c16-13-9-12(21-15(13)17)10-19-11-4-7-20(8-5-11)14-3-1-2-6-18-14/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyLUZAFPDWCNIIJP-UHFFFAOYSA-N
MW415.13 g/mol
LogP3.96
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 62084118) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID62084118
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESBrc1cc(CNC2CCN(c3ccccn3)CC2)oc1Br
InChIInChI=1S/C15H17Br2N3O/c16-13-9-12(21-15(13)17)10-19-11-4-7-20(8-5-11)14-3-1-2-6-18-14/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyLUZAFPDWCNIIJP-UHFFFAOYSA-N
XLogP3.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 102673300
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675369
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675430
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 62084118) is N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is Brc1cc(CNC2CCN(c3ccccn3)CC2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is LUZAFPDWCNIIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c16-13-9-12(21-15(13)17)10-19-11-4-7-20(8-5-11)14-3-1-2-6-18-14/h1-3,6,9,11,19H,4-5,7-8,10H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 415.13 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 62084118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).