1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine

C13H21BrN2O — CID 104653772

IUPAC1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H21BrN2O/c1-10(12-3-4-13(14)17-12)16-7-5-11(6-8-16)9-15-2/h3-4,10-11,15H,5-9H2,1-2H3
InChIKeyZMVGPVUMJYMFRJ-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 104653772) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID104653772
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H21BrN2O/c1-10(12-3-4-13(14)17-12)16-7-5-11(6-8-16)9-15-2/h3-4,10-11,15H,5-9H2,1-2H3
InChIKeyZMVGPVUMJYMFRJ-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
3-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-3-yl]propanoic acid
CID 104654096
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
2-(5-bromofuran-2-yl)-2-(4-ethoxypiperidin-1-yl)ethanamine
CID 61219757

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 104653772) is 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(C(C)c2ccc(Br)o2)CC1.
What is the InChIKey of 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is ZMVGPVUMJYMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(12-3-4-13(14)17-12)16-7-5-11(6-8-16)9-15-2/h3-4,10-11,15H,5-9H2,1-2H3.
What are the key properties of 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 301.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 104653772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).