4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol

C15H22N2O4 — CID 2845698

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol
SMILESCCC1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-3-12-6-4-5-7-16(12)10-11-8-13(17(19)20)15(18)14(9-11)21-2/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyONYCEDLEPFGXNN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.07
Rot. Bonds5

About 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol

4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol (PubChem CID 2845698) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol
PubChem CID2845698
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol
SMILESCCC1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O4/c1-3-12-6-4-5-7-16(12)10-11-8-13(17(19)20)15(18)14(9-11)21-2/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyONYCEDLEPFGXNN-UHFFFAOYSA-N
XLogP3.07
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol (CID 2845698) is 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol is CCC1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol?
The InChIKey is ONYCEDLEPFGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-12-6-4-5-7-16(12)10-11-8-13(17(19)20)15(18)14(9-11)21-2/h8-9,12,18H,3-7,10H2,1-2H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol?
4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol has a molecular weight of 294.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxy-6-nitrophenol is sourced from PubChem (CID 2845698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).