1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C24H30FNO — CID 10222865

IUPAC1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1ccccc1C1CCN(CC2CCc3c(F)cccc3C(O)C2)CC1
InChIInChI=1S/C24H30FNO/c1-17-5-2-3-6-20(17)19-11-13-26(14-12-19)16-18-9-10-21-22(24(27)15-18)7-4-8-23(21)25/h2-8,18-19,24,27H,9-16H2,1H3
InChIKeyUUBVJIQOPGVNFZ-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.00
Rot. Bonds3

About 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 10222865) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID10222865
Molecular FormulaC24H30FNO
Molecular Weight367.51 g/mol
Exact Mass367.23
IUPAC Name1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1ccccc1C1CCN(CC2CCc3c(F)cccc3C(O)C2)CC1
InChIInChI=1S/C24H30FNO/c1-17-5-2-3-6-20(17)19-11-13-26(14-12-19)16-18-9-10-21-22(24(27)15-18)7-4-8-23(21)25/h2-8,18-19,24,27H,9-16H2,1H3
InChIKeyUUBVJIQOPGVNFZ-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 10222865) is 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is Cc1ccccc1C1CCN(CC2CCc3c(F)cccc3C(O)C2)CC1.
What is the InChIKey of 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is UUBVJIQOPGVNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO/c1-17-5-2-3-6-20(17)19-11-13-26(14-12-19)16-18-9-10-21-22(24(27)15-18)7-4-8-23(21)25/h2-8,18-19,24,27H,9-16H2,1H3.
What are the key properties of 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 367.51 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 10222865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).