1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine

C16H19FN2 — CID 44592244

IUPAC1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine
SMILESFc1ccc2cc(CCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
InChIKeyAVSJNVNTDDYDEP-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine

1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine (PubChem CID 44592244) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine
PubChem CID44592244
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine
SMILESFc1ccc2cc(CCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
InChIKeyAVSJNVNTDDYDEP-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine (CID 44592244) is 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine is Fc1ccc2cc(CCN3CCNCC3)ccc2c1.
What is the InChIKey of 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine?
The InChIKey is AVSJNVNTDDYDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2.
What are the key properties of 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine?
1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine has a molecular weight of 258.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoronaphthalen-2-yl)ethyl]piperazine is sourced from PubChem (CID 44592244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).