N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine

C17H21BrN2O — CID 15943350

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESBrc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1
InChIInChI=1S/C17H21BrN2O/c18-15-3-1-14(2-4-15)17-6-5-16(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2
InChIKeyDBIHAPDVDDYEGW-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.80
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 15943350) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID15943350
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESBrc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1
InChIInChI=1S/C17H21BrN2O/c18-15-3-1-14(2-4-15)17-6-5-16(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2
InChIKeyDBIHAPDVDDYEGW-UHFFFAOYSA-N
XLogP3.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 15943350) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine is Brc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is DBIHAPDVDDYEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-15-3-1-14(2-4-15)17-6-5-16(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 349.27 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 15943350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).