N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine

C10H15BrN2O — CID 131204068

IUPACN-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
SMILESBrc1ccc(CNC2CCCNC2)o1
InChIInChI=1S/C10H15BrN2O/c11-10-4-3-9(14-10)7-13-8-2-1-5-12-6-8/h3-4,8,12-13H,1-2,5-7H2
InChIKeyCQANGMNNLFGPAR-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.88
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine

N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine (PubChem CID 131204068) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
PubChem CID131204068
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
SMILESBrc1ccc(CNC2CCCNC2)o1
InChIInChI=1S/C10H15BrN2O/c11-10-4-3-9(14-10)7-13-8-2-1-5-12-6-8/h3-4,8,12-13H,1-2,5-7H2
InChIKeyCQANGMNNLFGPAR-UHFFFAOYSA-N
XLogP1.88
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-bromofuran-2-yl)ethyl]piperidine
CID 83488604
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
CID 115118284
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
3-(5-bromofuran-2-yl)piperidine
CID 82390955
N-[(5-bromofuran-2-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103527272
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine (CID 131204068) is N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine is Brc1ccc(CNC2CCCNC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine?
The InChIKey is CQANGMNNLFGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-10-4-3-9(14-10)7-13-8-2-1-5-12-6-8/h3-4,8,12-13H,1-2,5-7H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine?
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine has a molecular weight of 259.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 131204068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).