4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine

C25H22N2O3 — CID 71271365

IUPAC4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OC1CCNCC1)c1ccccc1-2
InChIInChI=1S/C25H22N2O3/c28-27(29)18-9-10-22-20-6-2-3-7-21(20)23(24(22)16-18)15-17-5-1-4-8-25(17)30-19-11-13-26-14-12-19/h1-10,15-16,19,26H,11-14H2
InChIKeySEOBTOGSGOLQRS-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.29
Rot. Bonds4

About 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine

4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine (PubChem CID 71271365) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine.

Molecular Properties

Compound Name4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine
PubChem CID71271365
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OC1CCNCC1)c1ccccc1-2
InChIInChI=1S/C25H22N2O3/c28-27(29)18-9-10-22-20-6-2-3-7-21(20)23(24(22)16-18)15-17-5-1-4-8-25(17)30-19-11-13-26-14-12-19/h1-10,15-16,19,26H,11-14H2
InChIKeySEOBTOGSGOLQRS-UHFFFAOYSA-N
XLogP5.29
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 9926786
CID 9926786
CID 71271357
CID 71271357
CID 71271603
CID 71271603
CID 123347204
CID 123347204
CID 123476268
CID 123476268
CID 123511360
CID 123511360
CID 123651547
CID 123651547
CID 123658232
CID 123658232
CID 123749389
CID 123749389
CID 123787998
CID 123787998
CID 123915236
CID 123915236
CID 124005555
CID 124005555

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine?
The IUPAC name of 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine (CID 71271365) is 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine.
What is the SMILES notation for 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine?
The canonical SMILES for 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine is O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OC1CCNCC1)c1ccccc1-2.
What is the InChIKey of 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine?
The InChIKey is SEOBTOGSGOLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-27(29)18-9-10-22-20-6-2-3-7-21(20)23(24(22)16-18)15-17-5-1-4-8-25(17)30-19-11-13-26-14-12-19/h1-10,15-16,19,26H,11-14H2.
What are the key properties of 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine?
4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine has a molecular weight of 398.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]piperidine is sourced from PubChem (CID 71271365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).