1-[(5-bromofuran-2-yl)methyl]piperazine

C9H13BrN2O — CID 43143137

IUPAC1-[(5-bromofuran-2-yl)methyl]piperazine
SMILESBrc1ccc(CN2CCNCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKeyFJZTVKRPVXZUCT-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.45
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]piperazine

1-[(5-bromofuran-2-yl)methyl]piperazine (PubChem CID 43143137) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]piperazine
PubChem CID43143137
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl]piperazine
SMILESBrc1ccc(CN2CCNCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKeyFJZTVKRPVXZUCT-UHFFFAOYSA-N
XLogP1.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
1-[(5-nitrofuran-2-yl)methyl]piperazine
CID 43143138
1-[2-(5-bromofuran-2-yl)prop-2-enyl]piperazine
CID 117269443
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine
CID 115410783
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548846

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]piperazine (CID 43143137) is 1-[(5-bromofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]piperazine is Brc1ccc(CN2CCNCC2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]piperazine?
The InChIKey is FJZTVKRPVXZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]piperazine?
1-[(5-bromofuran-2-yl)methyl]piperazine has a molecular weight of 245.12 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 43143137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).