4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine

C15H22N2O4 — CID 133448476

IUPAC4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine
SMILESCOCCOC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-12-11-13(17(18)19)3-4-15(12)16-7-5-14(6-8-16)21-10-9-20-2/h3-4,11,14H,5-10H2,1-2H3
InChIKeyXIBIAYGDLNDKSO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds6

About 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine

4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine (PubChem CID 133448476) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine
PubChem CID133448476
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine
SMILESCOCCOC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-12-11-13(17(18)19)3-4-15(12)16-7-5-14(6-8-16)21-10-9-20-2/h3-4,11,14H,5-10H2,1-2H3
InChIKeyXIBIAYGDLNDKSO-UHFFFAOYSA-N
XLogP2.54
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

4-(2-methoxyethoxy)-1-(4-methyl-2-nitrophenyl)piperidine
CID 133389723
3-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736390
2-[1-[2-(hydroxymethyl)-4-nitrophenyl]piperidin-4-yl]oxyethanol
CID 82016720
N,N-dimethyl-2-[1-(2-methyl-4-nitrophenyl)piperidin-4-yl]ethanamine
CID 59597809
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
CID 175290845
1-[2-(chloromethyl)-4-nitrophenyl]-4-ethoxypiperidine
CID 61221110
2-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]oxyacetic acid
CID 63903538
N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]-5-nitrobenzamide
CID 87021183
N,N-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133328070
4-[1-(2-methyl-4-nitrophenyl)piperidin-4-yl]thiomorpholine
CID 141372815
2-[1-(2-methyl-4-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 113248015

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine (CID 133448476) is 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine is COCCOC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine?
The InChIKey is XIBIAYGDLNDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-11-13(17(18)19)3-4-15(12)16-7-5-14(6-8-16)21-10-9-20-2/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine?
4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine has a molecular weight of 294.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(2-methyl-4-nitrophenyl)piperidine is sourced from PubChem (CID 133448476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).