6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C27H29FN2O2 — CID 177319058

IUPAC6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1cccc(F)c1
InChIInChI=1S/C27H29FN2O2/c1-32-26-17-21(30-13-11-29-12-14-30)6-9-25(26)27-23(18-3-2-4-20(28)15-18)8-5-19-16-22(31)7-10-24(19)27/h2-4,6-7,9-10,15-17,23,27,29,31H,5,8,11-14H2,1H3
InChIKeyKRXNKSRWTLIGIT-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.81
Rot. Bonds4

About 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 177319058) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID177319058
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1cccc(F)c1
InChIInChI=1S/C27H29FN2O2/c1-32-26-17-21(30-13-11-29-12-14-30)6-9-25(26)27-23(18-3-2-4-20(28)15-18)8-5-19-16-22(31)7-10-24(19)27/h2-4,6-7,9-10,15-17,23,27,29,31H,5,8,11-14H2,1H3
InChIKeyKRXNKSRWTLIGIT-UHFFFAOYSA-N
XLogP4.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

ethane;5-(2-methoxy-4-piperazin-1-ylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;vanadium;hydrate
CID 177319230
tert-butyl 4-[4-[(1S,2S)-2-(3-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]piperazine-1-carboxylate
CID 177266340
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
(5R,6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 175878046
5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
CID 178025148
6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 176660829
(5R,6S)-6-cyclohexyl-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170707056
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171
(5R,6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170705963
2-[2-fluoro-4-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methoxyphenyl]-2-azaspiro[3.5]nonane-7-carbaldehyde
CID 170728862
2-methoxy-4-piperazin-1-ylphenol
CID 24820540

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 177319058) is 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc(N2CCNCC2)ccc1C1c2ccc(O)cc2CCC1c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KRXNKSRWTLIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-32-26-17-21(30-13-11-29-12-14-30)6-9-25(26)27-23(18-3-2-4-20(28)15-18)8-5-19-16-22(31)7-10-24(19)27/h2-4,6-7,9-10,15-17,23,27,29,31H,5,8,11-14H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 432.54 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-(2-methoxy-4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 177319058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).