1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole

C15H20FN3 — CID 112563254

IUPAC1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole
SMILESCCn1nc(CC2(F)CCNCC2)c2ccccc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-6-4-3-5-12(14)13(18-19)11-15(16)7-9-17-10-8-15/h3-6,17H,2,7-11H2,1H3
InChIKeyDVIKLSBLFOPADQ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.69
Rot. Bonds3

About 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole

1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole (PubChem CID 112563254) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole.

Molecular Properties

Compound Name1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole
PubChem CID112563254
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole
SMILESCCn1nc(CC2(F)CCNCC2)c2ccccc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-6-4-3-5-12(14)13(18-19)11-15(16)7-9-17-10-8-15/h3-6,17H,2,7-11H2,1H3
InChIKeyDVIKLSBLFOPADQ-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole?
The IUPAC name of 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole (CID 112563254) is 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole.
What is the SMILES notation for 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole?
The canonical SMILES for 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole is CCn1nc(CC2(F)CCNCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole?
The InChIKey is DVIKLSBLFOPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19-14-6-4-3-5-12(14)13(18-19)11-15(16)7-9-17-10-8-15/h3-6,17H,2,7-11H2,1H3.
What are the key properties of 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole?
1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole has a molecular weight of 261.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole is sourced from PubChem (CID 112563254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).