1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

C21H22F2N2O — CID 46967079

IUPAC1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H22F2N2O/c1-14-18-12-17(23)6-7-19(18)24-20(14)13-25-10-8-21(26,9-11-25)15-2-4-16(22)5-3-15/h2-7,12,24,26H,8-11,13H2,1H3
InChIKeyCWAKGQZRFLSWIW-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.24
Rot. Bonds3

About 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol

1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 46967079) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID46967079
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H22F2N2O/c1-14-18-12-17(23)6-7-19(18)24-20(14)13-25-10-8-21(26,9-11-25)15-2-4-16(22)5-3-15/h2-7,12,24,26H,8-11,13H2,1H3
InChIKeyCWAKGQZRFLSWIW-UHFFFAOYSA-N
XLogP4.24
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol (CID 46967079) is 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is Cc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is CWAKGQZRFLSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-14-18-12-17(23)6-7-19(18)24-20(14)13-25-10-8-21(26,9-11-25)15-2-4-16(22)5-3-15/h2-7,12,24,26H,8-11,13H2,1H3.
What are the key properties of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 356.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 46967079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).