2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine

C12H18N2O4 — CID 62341611

IUPAC2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(COCCC2CCCCN2)o1
InChIInChI=1S/C12H18N2O4/c15-14(16)12-5-4-11(18-12)9-17-8-6-10-3-1-2-7-13-10/h4-5,10,13H,1-3,6-9H2
InChIKeyQXZFYBCVLLNNRI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.24
Rot. Bonds6

About 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine

2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine (PubChem CID 62341611) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
PubChem CID62341611
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(COCCC2CCCCN2)o1
InChIInChI=1S/C12H18N2O4/c15-14(16)12-5-4-11(18-12)9-17-8-6-10-3-1-2-7-13-10/h4-5,10,13H,1-3,6-9H2
InChIKeyQXZFYBCVLLNNRI-UHFFFAOYSA-N
XLogP2.24
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631949
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
5-nitro-2-(2-piperidin-2-ylethoxy)-1,3-benzoxazole;hydrochloride
CID 71635936
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
(2R)-2-[2-[(2,6-difluorophenyl)methoxy]ethyl]piperidine
CID 86321767
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
(2S)-2-(5-nitrofuran-2-yl)pyrrolidine
CID 55277581

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine (CID 62341611) is 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine is O=[N+]([O-])c1ccc(COCCC2CCCCN2)o1.
What is the InChIKey of 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine?
The InChIKey is QXZFYBCVLLNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-14(16)12-5-4-11(18-12)9-17-8-6-10-3-1-2-7-13-10/h4-5,10,13H,1-3,6-9H2.
What are the key properties of 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine?
2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine has a molecular weight of 254.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 62341611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).