ethane;4-(3-nitrophenoxy)piperidine

C13H20N2O3 — CID 156721949

IUPACethane;4-(3-nitrophenoxy)piperidine
SMILESCC.O=[N+]([O-])c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C11H14N2O3.C2H6/c14-13(15)9-2-1-3-11(8-9)16-10-4-6-12-7-5-10;1-2/h1-3,8,10,12H,4-7H2;1-2H3
InChIKeyZANOSUNGPUWSPC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds3

About ethane;4-(3-nitrophenoxy)piperidine

ethane;4-(3-nitrophenoxy)piperidine (PubChem CID 156721949) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethane;4-(3-nitrophenoxy)piperidine.

Molecular Properties

Compound Nameethane;4-(3-nitrophenoxy)piperidine
PubChem CID156721949
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethane;4-(3-nitrophenoxy)piperidine
SMILESCC.O=[N+]([O-])c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C11H14N2O3.C2H6/c14-13(15)9-2-1-3-11(8-9)16-10-4-6-12-7-5-10;1-2/h1-3,8,10,12H,4-7H2;1-2H3
InChIKeyZANOSUNGPUWSPC-UHFFFAOYSA-N
XLogP2.75
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
CID 59418392
CID 59418392
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
3-(3-methyl-5-nitrophenoxy)pyrrolidine
CID 112649692
4-[3-(furan-2-yl)phenoxy]piperidine
CID 24733677
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
1-(3-bromo-2,2-dimethylcyclobutyl)oxy-3-nitrobenzene
CID 66346117
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
methyl (3R,4S)-4-(3-nitrophenoxy)pyrrolidine-3-carboxylate
CID 142424397

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-nitrophenoxy)piperidine?
The IUPAC name of ethane;4-(3-nitrophenoxy)piperidine (CID 156721949) is ethane;4-(3-nitrophenoxy)piperidine.
What is the SMILES notation for ethane;4-(3-nitrophenoxy)piperidine?
The canonical SMILES for ethane;4-(3-nitrophenoxy)piperidine is CC.O=[N+]([O-])c1cccc(OC2CCNCC2)c1.
What is the InChIKey of ethane;4-(3-nitrophenoxy)piperidine?
The InChIKey is ZANOSUNGPUWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C2H6/c14-13(15)9-2-1-3-11(8-9)16-10-4-6-12-7-5-10;1-2/h1-3,8,10,12H,4-7H2;1-2H3.
What are the key properties of ethane;4-(3-nitrophenoxy)piperidine?
ethane;4-(3-nitrophenoxy)piperidine has a molecular weight of 252.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-nitrophenoxy)piperidine is sourced from PubChem (CID 156721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).