1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine

C30H26FNO — CID 22590673

IUPAC1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine
SMILESFc1ccccc1C1(c2ccc(N3CCCCC3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C30H26FNO/c31-28-11-5-4-10-27(28)30(23-13-15-24(16-14-23)32-20-6-1-7-21-32)19-18-26-25-9-3-2-8-22(25)12-17-29(26)33-30/h2-5,8-19H,1,6-7,20-21H2
InChIKeyIZYKVEUGJRWRMM-UHFFFAOYSA-N
MW435.54 g/mol
LogP7.32
Rot. Bonds3

About 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine

1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine (PubChem CID 22590673) has the molecular formula C30H26FNO and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine
PubChem CID22590673
Molecular FormulaC30H26FNO
Molecular Weight435.54 g/mol
Exact Mass435.20
IUPAC Name1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine
SMILESFc1ccccc1C1(c2ccc(N3CCCCC3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C30H26FNO/c31-28-11-5-4-10-27(28)30(23-13-15-24(16-14-23)32-20-6-1-7-21-32)19-18-26-25-9-3-2-8-22(25)12-17-29(26)33-30/h2-5,8-19H,1,6-7,20-21H2
InChIKeyIZYKVEUGJRWRMM-UHFFFAOYSA-N
XLogP7.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine?
The IUPAC name of 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine (CID 22590673) is 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine.
What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine?
The canonical SMILES for 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine is Fc1ccccc1C1(c2ccc(N3CCCCC3)cc2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine?
The InChIKey is IZYKVEUGJRWRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FNO/c31-28-11-5-4-10-27(28)30(23-13-15-24(16-14-23)32-20-6-1-7-21-32)19-18-26-25-9-3-2-8-22(25)12-17-29(26)33-30/h2-5,8-19H,1,6-7,20-21H2.
What are the key properties of 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine?
1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine has a molecular weight of 435.54 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]piperidine is sourced from PubChem (CID 22590673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).