4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine

C22H26FN — CID 22037876

IUPAC4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCC(C3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26FN/c23-20-8-5-17(6-9-20)11-14-24-15-12-19(13-16-24)22-10-7-18-3-1-2-4-21(18)22/h1-6,8-9,19,22H,7,10-16H2
InChIKeyKZXGIYQVIAQRLV-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.81
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine

4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine (PubChem CID 22037876) has the molecular formula C22H26FN and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine
PubChem CID22037876
Molecular FormulaC22H26FN
Molecular Weight323.46 g/mol
Exact Mass323.20
IUPAC Name4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCC(C3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26FN/c23-20-8-5-17(6-9-20)11-14-24-15-12-19(13-16-24)22-10-7-18-3-1-2-4-21(18)22/h1-6,8-9,19,22H,7,10-16H2
InChIKeyKZXGIYQVIAQRLV-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine (CID 22037876) is 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine is Fc1ccc(CCN2CCC(C3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The InChIKey is KZXGIYQVIAQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN/c23-20-8-5-17(6-9-20)11-14-24-15-12-19(13-16-24)22-10-7-18-3-1-2-4-21(18)22/h1-6,8-9,19,22H,7,10-16H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine has a molecular weight of 323.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 22037876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).