1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine

C19H21FN2O3 — CID 10831286

IUPAC1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine
SMILESO=[N+]([O-])c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3/c20-17-3-1-15(2-4-17)13-21-11-9-16(10-12-21)14-25-19-7-5-18(6-8-19)22(23)24/h1-8,16H,9-14H2
InChIKeyHTYUTOAGQKZAEN-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.02
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine

1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine (PubChem CID 10831286) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine
PubChem CID10831286
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine
SMILESO=[N+]([O-])c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O3/c20-17-3-1-15(2-4-17)13-21-11-9-16(10-12-21)14-25-19-7-5-18(6-8-19)22(23)24/h1-8,16H,9-14H2
InChIKeyHTYUTOAGQKZAEN-UHFFFAOYSA-N
XLogP4.02
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine (CID 10831286) is 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine is O=[N+]([O-])c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine?
The InChIKey is HTYUTOAGQKZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-3-1-15(2-4-17)13-21-11-9-16(10-12-21)14-25-19-7-5-18(6-8-19)22(23)24/h1-8,16H,9-14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine?
1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine has a molecular weight of 344.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[(4-nitrophenoxy)methyl]piperidine is sourced from PubChem (CID 10831286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).