2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine

C14H20N2O3 — CID 62342977

IUPAC2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1cccc(COCCC2CCCCN2)c1
InChIInChI=1S/C14H20N2O3/c17-16(18)14-6-3-4-12(10-14)11-19-9-7-13-5-1-2-8-15-13/h3-4,6,10,13,15H,1-2,5,7-9,11H2
InChIKeyPBVLEXHPPOMSHU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine

2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine (PubChem CID 62342977) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
PubChem CID62342977
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1cccc(COCCC2CCCCN2)c1
InChIInChI=1S/C14H20N2O3/c17-16(18)14-6-3-4-12(10-14)11-19-9-7-13-5-1-2-8-15-13/h3-4,6,10,13,15H,1-2,5,7-9,11H2
InChIKeyPBVLEXHPPOMSHU-UHFFFAOYSA-N
XLogP2.64
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)ethyl]pyrrolidine
CID 104703830
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
CID 82353189
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
CID 62341611
N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106623093
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine (CID 62342977) is 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine is O=[N+]([O-])c1cccc(COCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine?
The InChIKey is PBVLEXHPPOMSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-16(18)14-6-3-4-12(10-14)11-19-9-7-13-5-1-2-8-15-13/h3-4,6,10,13,15H,1-2,5,7-9,11H2.
What are the key properties of 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine?
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine has a molecular weight of 264.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 62342977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).