4-(5-methyl-2-nitrophenoxy)piperidine

C12H16N2O3 — CID 20735388

IUPAC4-(5-methyl-2-nitrophenoxy)piperidine
SMILESCc1ccc([N+](=O)[O-])c(OC2CCNCC2)c1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(14(15)16)12(8-9)17-10-4-6-13-7-5-10/h2-3,8,10,13H,4-7H2,1H3
InChIKeyMZTLDPQKZYXYBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.03
Rot. Bonds3

About 4-(5-methyl-2-nitrophenoxy)piperidine

4-(5-methyl-2-nitrophenoxy)piperidine (PubChem CID 20735388) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(5-methyl-2-nitrophenoxy)piperidine.

Molecular Properties

Compound Name4-(5-methyl-2-nitrophenoxy)piperidine
PubChem CID20735388
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(5-methyl-2-nitrophenoxy)piperidine
SMILESCc1ccc([N+](=O)[O-])c(OC2CCNCC2)c1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(14(15)16)12(8-9)17-10-4-6-13-7-5-10/h2-3,8,10,13H,4-7H2,1H3
InChIKeyMZTLDPQKZYXYBQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.03
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-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
CID 68908820
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-nitrophenoxy)piperidine?
The IUPAC name of 4-(5-methyl-2-nitrophenoxy)piperidine (CID 20735388) is 4-(5-methyl-2-nitrophenoxy)piperidine.
What is the SMILES notation for 4-(5-methyl-2-nitrophenoxy)piperidine?
The canonical SMILES for 4-(5-methyl-2-nitrophenoxy)piperidine is Cc1ccc([N+](=O)[O-])c(OC2CCNCC2)c1.
What is the InChIKey of 4-(5-methyl-2-nitrophenoxy)piperidine?
The InChIKey is MZTLDPQKZYXYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-3-11(14(15)16)12(8-9)17-10-4-6-13-7-5-10/h2-3,8,10,13H,4-7H2,1H3.
What are the key properties of 4-(5-methyl-2-nitrophenoxy)piperidine?
4-(5-methyl-2-nitrophenoxy)piperidine has a molecular weight of 236.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-nitrophenoxy)piperidine is sourced from PubChem (CID 20735388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).