1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole

C22H28FN3 — CID 141206103

IUPAC1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole
SMILESCN1Cc2ccccc2N1CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3/c1-24-17-20-4-2-3-5-22(20)26(24)16-19-11-14-25(15-12-19)13-10-18-6-8-21(23)9-7-18/h2-9,19H,10-17H2,1H3
InChIKeyKTSDWVQPIDMOOP-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.95
Rot. Bonds5

About 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole

1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole (PubChem CID 141206103) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole.

Molecular Properties

Compound Name1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole
PubChem CID141206103
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole
SMILESCN1Cc2ccccc2N1CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3/c1-24-17-20-4-2-3-5-22(20)26(24)16-19-11-14-25(15-12-19)13-10-18-6-8-21(23)9-7-18/h2-9,19H,10-17H2,1H3
InChIKeyKTSDWVQPIDMOOP-UHFFFAOYSA-N
XLogP3.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole?
The IUPAC name of 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole (CID 141206103) is 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole.
What is the SMILES notation for 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole?
The canonical SMILES for 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole is CN1Cc2ccccc2N1CC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole?
The InChIKey is KTSDWVQPIDMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-24-17-20-4-2-3-5-22(20)26(24)16-19-11-14-25(15-12-19)13-10-18-6-8-21(23)9-7-18/h2-9,19H,10-17H2,1H3.
What are the key properties of 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole?
1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole has a molecular weight of 353.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole is sourced from PubChem (CID 141206103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).