1-butyl-2-(4-nitrophenoxy)piperidine

C15H22N2O3 — CID 68967986

IUPAC1-butyl-2-(4-nitrophenoxy)piperidine
SMILESCCCCN1CCCCC1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-11-16-12-5-4-6-15(16)20-14-9-7-13(8-10-14)17(18)19/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQXBCNJKIUYHMFS-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.59
Rot. Bonds6

About 1-butyl-2-(4-nitrophenoxy)piperidine

1-butyl-2-(4-nitrophenoxy)piperidine (PubChem CID 68967986) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-butyl-2-(4-nitrophenoxy)piperidine.

Molecular Properties

Compound Name1-butyl-2-(4-nitrophenoxy)piperidine
PubChem CID68967986
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-butyl-2-(4-nitrophenoxy)piperidine
SMILESCCCCN1CCCCC1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-11-16-12-5-4-6-15(16)20-14-9-7-13(8-10-14)17(18)19/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQXBCNJKIUYHMFS-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
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'}

Analyze 1-butyl-2-(4-nitrophenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-2-[(4-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 19863415
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
1-(2-chlorocyclohexyl)oxy-4-nitrobenzene
CID 70179817
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
(3R,4S)-3-methoxy-4-[2-(4-nitrophenoxy)ethyl]-1-pentylpiperidine
CID 18394732
1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid
CID 119139219
2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine
CID 58513858
1-nitro-4-octadecoxybenzene
CID 4258205
1-ethyl-3-(4-nitrophenoxy)azepane;2-nitrobicyclo[2.2.0]hexa-1(4),2,5-triene
CID 22363124
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-nitrophenoxy)piperidine?
The IUPAC name of 1-butyl-2-(4-nitrophenoxy)piperidine (CID 68967986) is 1-butyl-2-(4-nitrophenoxy)piperidine.
What is the SMILES notation for 1-butyl-2-(4-nitrophenoxy)piperidine?
The canonical SMILES for 1-butyl-2-(4-nitrophenoxy)piperidine is CCCCN1CCCCC1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-butyl-2-(4-nitrophenoxy)piperidine?
The InChIKey is QXBCNJKIUYHMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-11-16-12-5-4-6-15(16)20-14-9-7-13(8-10-14)17(18)19/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 1-butyl-2-(4-nitrophenoxy)piperidine?
1-butyl-2-(4-nitrophenoxy)piperidine has a molecular weight of 278.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-nitrophenoxy)piperidine is sourced from PubChem (CID 68967986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).