4-(4-nitro-3-propoxyphenoxy)piperidine

C14H20N2O4 — CID 63678351

IUPAC4-(4-nitro-3-propoxyphenoxy)piperidine
SMILESCCCOc1cc(OC2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-2-9-19-14-10-12(3-4-13(14)16(17)18)20-11-5-7-15-8-6-11/h3-4,10-11,15H,2,5-9H2,1H3
InChIKeyUMRGAUZLYBSFHA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.51
Rot. Bonds6

About 4-(4-nitro-3-propoxyphenoxy)piperidine

4-(4-nitro-3-propoxyphenoxy)piperidine (PubChem CID 63678351) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(4-nitro-3-propoxyphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-nitro-3-propoxyphenoxy)piperidine
PubChem CID63678351
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(4-nitro-3-propoxyphenoxy)piperidine
SMILESCCCOc1cc(OC2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-2-9-19-14-10-12(3-4-13(14)16(17)18)20-11-5-7-15-8-6-11/h3-4,10-11,15H,2,5-9H2,1H3
InChIKeyUMRGAUZLYBSFHA-UHFFFAOYSA-N
XLogP2.51
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.51
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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Related Compounds

4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
N-[2-(4-nitro-3-propoxyphenoxy)ethyl]propan-1-amine
CID 63677945
4-(4-propoxyphenoxy)azepane
CID 63904480
N-(4-nitro-3-propoxyphenyl)azetidin-3-amine
CID 66186786
3-(4-methyl-3-nitrophenoxy)pyrrolidine
CID 62911830
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
N-[(4-nitro-3-propoxyphenyl)methyl]cyclopropanamine
CID 55040963
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
3-(4-nitro-3-propoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 63676680
(3S)-3-(4-nitro-3-propan-2-yloxyphenoxy)piperidine
CID 83013093

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-3-propoxyphenoxy)piperidine?
The IUPAC name of 4-(4-nitro-3-propoxyphenoxy)piperidine (CID 63678351) is 4-(4-nitro-3-propoxyphenoxy)piperidine.
What is the SMILES notation for 4-(4-nitro-3-propoxyphenoxy)piperidine?
The canonical SMILES for 4-(4-nitro-3-propoxyphenoxy)piperidine is CCCOc1cc(OC2CCNCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(4-nitro-3-propoxyphenoxy)piperidine?
The InChIKey is UMRGAUZLYBSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-9-19-14-10-12(3-4-13(14)16(17)18)20-11-5-7-15-8-6-11/h3-4,10-11,15H,2,5-9H2,1H3.
What are the key properties of 4-(4-nitro-3-propoxyphenoxy)piperidine?
4-(4-nitro-3-propoxyphenoxy)piperidine has a molecular weight of 280.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitro-3-propoxyphenoxy)piperidine is sourced from PubChem (CID 63678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).