N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine

C16H23FN4 — CID 163414197

IUPACN-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine
SMILESCCNCCN1CCC(n2ncc3cc(F)ccc32)CC1
InChIInChI=1S/C16H23FN4/c1-2-18-7-10-20-8-5-15(6-9-20)21-16-4-3-14(17)11-13(16)12-19-21/h3-4,11-12,15,18H,2,5-10H2,1H3
InChIKeyACZOEHRAOUSEGY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine

N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine (PubChem CID 163414197) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine
PubChem CID163414197
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine
SMILESCCNCCN1CCC(n2ncc3cc(F)ccc32)CC1
InChIInChI=1S/C16H23FN4/c1-2-18-7-10-20-8-5-15(6-9-20)21-16-4-3-14(17)11-13(16)12-19-21/h3-4,11-12,15,18H,2,5-10H2,1H3
InChIKeyACZOEHRAOUSEGY-UHFFFAOYSA-N
XLogP2.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine (CID 163414197) is N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine is CCNCCN1CCC(n2ncc3cc(F)ccc32)CC1.
What is the InChIKey of N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine?
The InChIKey is ACZOEHRAOUSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-2-18-7-10-20-8-5-15(6-9-20)21-16-4-3-14(17)11-13(16)12-19-21/h3-4,11-12,15,18H,2,5-10H2,1H3.
What are the key properties of N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine?
N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine has a molecular weight of 290.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(5-fluoroindazol-1-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 163414197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).