1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine

C27H26N2O3 — CID 123658232

IUPAC1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCCCC1)c1ccccc1-2
InChIInChI=1S/C27H26N2O3/c30-29(31)21-12-13-24-22-9-3-4-10-23(22)25(26(24)19-21)18-20-8-2-5-11-27(20)32-17-16-28-14-6-1-7-15-28/h2-5,8-13,18-19H,1,6-7,14-17H2
InChIKeyRSOMQRWXAMURGM-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.03
Rot. Bonds6

About 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine

1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine (PubChem CID 123658232) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine
PubChem CID123658232
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCCCC1)c1ccccc1-2
InChIInChI=1S/C27H26N2O3/c30-29(31)21-12-13-24-22-9-3-4-10-23(22)25(26(24)19-21)18-20-8-2-5-11-27(20)32-17-16-28-14-6-1-7-15-28/h2-5,8-13,18-19H,1,6-7,14-17H2
InChIKeyRSOMQRWXAMURGM-UHFFFAOYSA-N
XLogP6.03
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.03
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine (CID 123658232) is 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine is O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCCCC1)c1ccccc1-2.
What is the InChIKey of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine?
The InChIKey is RSOMQRWXAMURGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-29(31)21-12-13-24-22-9-3-4-10-23(22)25(26(24)19-21)18-20-8-2-5-11-27(20)32-17-16-28-14-6-1-7-15-28/h2-5,8-13,18-19H,1,6-7,14-17H2.
What are the key properties of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine?
1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine has a molecular weight of 426.52 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 123658232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).