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

C21H23FN2O — CID 46967077

IUPAC4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2O/c1-15-18-4-2-3-5-19(18)23-20(15)14-24-12-10-21(25,11-13-24)16-6-8-17(22)9-7-16/h2-9,23,25H,10-14H2,1H3
InChIKeyQEXDCYXYOCKALA-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.10
Rot. Bonds3

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

4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol (PubChem CID 46967077) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
PubChem CID46967077
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2O/c1-15-18-4-2-3-5-19(18)23-20(15)14-24-12-10-21(25,11-13-24)16-6-8-17(22)9-7-16/h2-9,23,25H,10-14H2,1H3
InChIKeyQEXDCYXYOCKALA-UHFFFAOYSA-N
XLogP4.10
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol (CID 46967077) is 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol is Cc1c(CN2CCC(O)(c3ccc(F)cc3)CC2)[nH]c2ccccc12.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol?
The InChIKey is QEXDCYXYOCKALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-15-18-4-2-3-5-19(18)23-20(15)14-24-12-10-21(25,11-13-24)16-6-8-17(22)9-7-16/h2-9,23,25H,10-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol has a molecular weight of 338.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 46967077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).