2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine

C15H22N2O3 — CID 58513858

IUPAC2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine
SMILESCC1CCCCN1CCOCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-13-4-2-3-9-16(13)10-11-20-12-14-5-7-15(8-6-14)17(18)19/h5-8,13H,2-4,9-12H2,1H3
InChIKeyGIMCWZSJLZNIQM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.99
Rot. Bonds6

About 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine

2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine (PubChem CID 58513858) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine
PubChem CID58513858
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine
SMILESCC1CCCCN1CCOCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-13-4-2-3-9-16(13)10-11-20-12-14-5-7-15(8-6-14)17(18)19/h5-8,13H,2-4,9-12H2,1H3
InChIKeyGIMCWZSJLZNIQM-UHFFFAOYSA-N
XLogP2.99
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine?
The IUPAC name of 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine (CID 58513858) is 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine is CC1CCCCN1CCOCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine?
The InChIKey is GIMCWZSJLZNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13-4-2-3-9-16(13)10-11-20-12-14-5-7-15(8-6-14)17(18)19/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine?
2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine has a molecular weight of 278.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 58513858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).