1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine

C16H23FN2O — CID 117446549

IUPAC1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(F)c2c1CCCC2
InChIInChI=1S/C16H23FN2O/c1-20-15-10-12(11-19-8-6-18-7-9-19)16(17)14-5-3-2-4-13(14)15/h10,18H,2-9,11H2,1H3
InChIKeyPTQKQIOXWBBUQI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.12
Rot. Bonds3

About 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine

1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine (PubChem CID 117446549) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
PubChem CID117446549
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(F)c2c1CCCC2
InChIInChI=1S/C16H23FN2O/c1-20-15-10-12(11-19-8-6-18-7-9-19)16(17)14-5-3-2-4-13(14)15/h10,18H,2-9,11H2,1H3
InChIKeyPTQKQIOXWBBUQI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(3-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazine
CID 117400621
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine (CID 117446549) is 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine is COc1cc(CN2CCNCC2)c(F)c2c1CCCC2.
What is the InChIKey of 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine?
The InChIKey is PTQKQIOXWBBUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-20-15-10-12(11-19-8-6-18-7-9-19)16(17)14-5-3-2-4-13(14)15/h10,18H,2-9,11H2,1H3.
What are the key properties of 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine?
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine has a molecular weight of 278.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine is sourced from PubChem (CID 117446549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).