1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine

C19H27FN2 — CID 143025771

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine
SMILESCC(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C19H27FN2/c1-14(20)16-3-2-4-18(13-16)21-7-9-22(10-8-21)19-12-15-5-6-17(19)11-15/h2-4,13-15,17,19H,5-12H2,1H3
InChIKeyQONNHXXZWBGBDM-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine (PubChem CID 143025771) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine
PubChem CID143025771
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine
SMILESCC(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C19H27FN2/c1-14(20)16-3-2-4-18(13-16)21-7-9-22(10-8-21)19-12-15-5-6-17(19)11-15/h2-4,13-15,17,19H,5-12H2,1H3
InChIKeyQONNHXXZWBGBDM-UHFFFAOYSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine (CID 143025771) is 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine is CC(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine?
The InChIKey is QONNHXXZWBGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2/c1-14(20)16-3-2-4-18(13-16)21-7-9-22(10-8-21)19-12-15-5-6-17(19)11-15/h2-4,13-15,17,19H,5-12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine has a molecular weight of 302.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(1-fluoroethyl)phenyl]piperazine is sourced from PubChem (CID 143025771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).