[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone

C19H23FN2O — CID 2878491

IUPAC[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C19H23FN2O/c20-18-4-2-1-3-17(18)19(23)22-9-7-21(8-10-22)13-16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2
InChIKeyZWQFPOZFWKRNRG-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.80
Rot. Bonds3

About [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 2878491) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID2878491
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C19H23FN2O/c20-18-4-2-1-3-17(18)19(23)22-9-7-21(8-10-22)13-16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2
InChIKeyZWQFPOZFWKRNRG-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 2878491) is [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is ZWQFPOZFWKRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-18-4-2-1-3-17(18)19(23)22-9-7-21(8-10-22)13-16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2.
What are the key properties of [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 314.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 2878491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).