(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine

C16H19BrN2O — CID 82761027

IUPAC(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H19BrN2O/c1-12-10-18-8-9-19(12)11-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7,12,18H,8-11H2,1H3/t12-/m1/s1
InChIKeyKDEMDQONCXRTOJ-GFCCVEGCSA-N
MW335.25 g/mol
LogP3.50
Rot. Bonds3

About (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine

(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine (PubChem CID 82761027) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
PubChem CID82761027
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H19BrN2O/c1-12-10-18-8-9-19(12)11-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7,12,18H,8-11H2,1H3/t12-/m1/s1
InChIKeyKDEMDQONCXRTOJ-GFCCVEGCSA-N
XLogP3.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine (CID 82761027) is (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine?
The InChIKey is KDEMDQONCXRTOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12-10-18-8-9-19(12)11-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7,12,18H,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine?
(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine has a molecular weight of 335.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine is sourced from PubChem (CID 82761027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).