1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine

C14H20Br2N2O — CID 62085592

IUPAC1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESBrc1cc(CN2CCCC(C3CCCN3)C2)oc1Br
InChIInChI=1S/C14H20Br2N2O/c15-12-7-11(19-14(12)16)9-18-6-2-3-10(8-18)13-4-1-5-17-13/h7,10,13,17H,1-6,8-9H2
InChIKeyXFLPWWZYFFGVMD-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.77
Rot. Bonds3

About 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine

1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 62085592) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID62085592
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESBrc1cc(CN2CCCC(C3CCCN3)C2)oc1Br
InChIInChI=1S/C14H20Br2N2O/c15-12-7-11(19-14(12)16)9-18-6-2-3-10(8-18)13-4-1-5-17-13/h7,10,13,17H,1-6,8-9H2
InChIKeyXFLPWWZYFFGVMD-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine (CID 62085592) is 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine is Brc1cc(CN2CCCC(C3CCCN3)C2)oc1Br.
What is the InChIKey of 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is XFLPWWZYFFGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c15-12-7-11(19-14(12)16)9-18-6-2-3-10(8-18)13-4-1-5-17-13/h7,10,13,17H,1-6,8-9H2.
What are the key properties of 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine?
1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 392.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 62085592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).