1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine

C17H21FN2 — CID 44592245

IUPAC1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine
SMILESCc1c(CCN2CCNCC2)ccc2cc(F)ccc12
InChIInChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
InChIKeyKATOUFNMRLTTPE-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.74
Rot. Bonds3

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

1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine (PubChem CID 44592245) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine
PubChem CID44592245
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine
SMILESCc1c(CCN2CCNCC2)ccc2cc(F)ccc12
InChIInChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
InChIKeyKATOUFNMRLTTPE-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine (CID 44592245) is 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine is Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12.
What is the InChIKey of 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine?
The InChIKey is KATOUFNMRLTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3.
What are the key properties of 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine?
1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine has a molecular weight of 272.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl]piperazine is sourced from PubChem (CID 44592245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).