1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane

C19H28N2O4 — CID 161101282

IUPAC1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
SMILESC1CCOC1.O=[N+]([O-])c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C15H20N2O3.C4H8O/c18-17(19)13-4-6-14(7-5-13)20-15-8-10-16(11-9-15)12-2-1-3-12;1-2-4-5-3-1/h4-7,12,15H,1-3,8-11H2;1-4H2
InChIKeyUILLDOQXIAPNOJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane

1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane (PubChem CID 161101282) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane.

Molecular Properties

Compound Name1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
PubChem CID161101282
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
SMILESC1CCOC1.O=[N+]([O-])c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C15H20N2O3.C4H8O/c18-17(19)13-4-6-14(7-5-13)20-15-8-10-16(11-9-15)12-2-1-3-12;1-2-4-5-3-1/h4-7,12,15H,1-3,8-11H2;1-4H2
InChIKeyUILLDOQXIAPNOJ-UHFFFAOYSA-N
XLogP3.79
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
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 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane?
The IUPAC name of 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane (CID 161101282) is 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane.
What is the SMILES notation for 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane?
The canonical SMILES for 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane is C1CCOC1.O=[N+]([O-])c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane?
The InChIKey is UILLDOQXIAPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.C4H8O/c18-17(19)13-4-6-14(7-5-13)20-15-8-10-16(11-9-15)12-2-1-3-12;1-2-4-5-3-1/h4-7,12,15H,1-3,8-11H2;1-4H2.
What are the key properties of 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane?
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane has a molecular weight of 348.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane is sourced from PubChem (CID 161101282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).