1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine

C23H26N2O — CID 144945805

IUPAC1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine
SMILESCOc1ccc2cccc(CCc3cccc(N4CCNCC4)c3)c2c1
InChIInChI=1S/C23H26N2O/c1-26-22-11-10-20-6-3-5-19(23(20)17-22)9-8-18-4-2-7-21(16-18)25-14-12-24-13-15-25/h2-7,10-11,16-17,24H,8-9,12-15H2,1H3
InChIKeyIMMSIHFVJLKQIE-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine

1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine (PubChem CID 144945805) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine
PubChem CID144945805
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine
SMILESCOc1ccc2cccc(CCc3cccc(N4CCNCC4)c3)c2c1
InChIInChI=1S/C23H26N2O/c1-26-22-11-10-20-6-3-5-19(23(20)17-22)9-8-18-4-2-7-21(16-18)25-14-12-24-13-15-25/h2-7,10-11,16-17,24H,8-9,12-15H2,1H3
InChIKeyIMMSIHFVJLKQIE-UHFFFAOYSA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine?
The IUPAC name of 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine (CID 144945805) is 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine?
The canonical SMILES for 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine is COc1ccc2cccc(CCc3cccc(N4CCNCC4)c3)c2c1.
What is the InChIKey of 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine?
The InChIKey is IMMSIHFVJLKQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-26-22-11-10-20-6-3-5-19(23(20)17-22)9-8-18-4-2-7-21(16-18)25-14-12-24-13-15-25/h2-7,10-11,16-17,24H,8-9,12-15H2,1H3.
What are the key properties of 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine?
1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine is sourced from PubChem (CID 144945805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).