4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine

C14H20N2O3 — CID 105061214

IUPAC4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
SMILESCc1c(OCCC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-13(16(17)18)3-2-4-14(11)19-10-7-12-5-8-15-9-6-12/h2-4,12,15H,5-10H2,1H3
InChIKeyNMGLAKUJONAESO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine

4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine (PubChem CID 105061214) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
PubChem CID105061214
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
SMILESCc1c(OCCC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-13(16(17)18)3-2-4-14(11)19-10-7-12-5-8-15-9-6-12/h2-4,12,15H,5-10H2,1H3
InChIKeyNMGLAKUJONAESO-UHFFFAOYSA-N
XLogP2.67
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.67
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

3-[2-(2-methyl-3-nitrophenoxy)ethyl]pyrrolidine
CID 114796519
tert-butyl formate;2-nitro-6-(2-piperidin-4-ylethoxy)benzonitrile
CID 174965302
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870
1-(3-bromopropoxy)-2-methyl-3-nitrobenzene
CID 43437961
N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
CID 43437970
1-but-3-ynoxy-2-methyl-3-nitrobenzene
CID 63655623
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
2,2-dimethyl-5-(2-methyl-3-nitrophenoxy)pentanenitrile
CID 65257329
3-[2-(2-methyl-4-nitrophenoxy)ethyl]pyrrolidine
CID 114796274
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
3-[2-(2-methyl-6-nitrophenoxy)ethyl]azetidine
CID 107391798

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine (CID 105061214) is 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine is Cc1c(OCCC2CCNCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine?
The InChIKey is NMGLAKUJONAESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-13(16(17)18)3-2-4-14(11)19-10-7-12-5-8-15-9-6-12/h2-4,12,15H,5-10H2,1H3.
What are the key properties of 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine?
4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine has a molecular weight of 264.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 105061214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).