2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole

C20H22FN3O — CID 29023178

IUPAC2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole
SMILESFc1ccccc1OC1CCN(CCn2cc3ccccc3n2)CC1
InChIInChI=1S/C20H22FN3O/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-15-16-5-1-3-7-19(16)22-24/h1-8,15,17H,9-14H2
InChIKeyMQLIUAPSOBTKTM-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole

2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole (PubChem CID 29023178) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole
PubChem CID29023178
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole
SMILESFc1ccccc1OC1CCN(CCn2cc3ccccc3n2)CC1
InChIInChI=1S/C20H22FN3O/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-15-16-5-1-3-7-19(16)22-24/h1-8,15,17H,9-14H2
InChIKeyMQLIUAPSOBTKTM-UHFFFAOYSA-N
XLogP3.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
7-(Cyclopentyloxy)-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027369
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1,5-a]pyridine
CID 44215412
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The IUPAC name of 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole (CID 29023178) is 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole.
What is the SMILES notation for 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The canonical SMILES for 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole is Fc1ccccc1OC1CCN(CCn2cc3ccccc3n2)CC1.
What is the InChIKey of 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
The InChIKey is MQLIUAPSOBTKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-15-16-5-1-3-7-19(16)22-24/h1-8,15,17H,9-14H2.
What are the key properties of 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole?
2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole has a molecular weight of 339.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole is sourced from PubChem (CID 29023178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).