(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine

C10H15BrN2O — CID 104976695

IUPAC(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2ccc(Br)o2)CCN1
InChIInChI=1S/C10H15BrN2O/c1-8-6-13(5-4-12-8)7-9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1
InChIKeyQFMOHAPMFPQBRS-QMMMGPOBSA-N
MW259.15 g/mol
LogP1.84
Rot. Bonds2

About (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine

(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine (PubChem CID 104976695) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
PubChem CID104976695
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2ccc(Br)o2)CCN1
InChIInChI=1S/C10H15BrN2O/c1-8-6-13(5-4-12-8)7-9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1
InChIKeyQFMOHAPMFPQBRS-QMMMGPOBSA-N
XLogP1.84
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine (CID 104976695) is (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine is C[C@H]1CN(Cc2ccc(Br)o2)CCN1.
What is the InChIKey of (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine?
The InChIKey is QFMOHAPMFPQBRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-8-6-13(5-4-12-8)7-9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine?
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine has a molecular weight of 259.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104976695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).