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

C22H25FN2O2 — CID 16673537

IUPAC1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1
InChIInChI=1S/C22H25FN2O2/c1-15-17-13-16(23)7-8-19(17)24-20(15)14-25-11-9-22(26,10-12-25)18-5-3-4-6-21(18)27-2/h3-8,13,24,26H,9-12,14H2,1-2H3
InChIKeyKXXDOFFILPBDTH-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.11
Rot. Bonds4

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

1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 16673537) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID16673537
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1
InChIInChI=1S/C22H25FN2O2/c1-15-17-13-16(23)7-8-19(17)24-20(15)14-25-11-9-22(26,10-12-25)18-5-3-4-6-21(18)27-2/h3-8,13,24,26H,9-12,14H2,1-2H3
InChIKeyKXXDOFFILPBDTH-UHFFFAOYSA-N
XLogP4.11
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (CID 16673537) is 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol is COc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1.
What is the InChIKey of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is KXXDOFFILPBDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15-17-13-16(23)7-8-19(17)24-20(15)14-25-11-9-22(26,10-12-25)18-5-3-4-6-21(18)27-2/h3-8,13,24,26H,9-12,14H2,1-2H3.
What are the key properties of 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 368.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 16673537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).