4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine

C14H19FN2 — CID 123442072

IUPAC4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
SMILESNC1=CC=C(C2CCN(CCF)CC2)C=C=C1
InChIInChI=1S/C14H19FN2/c15-8-11-17-9-6-13(7-10-17)12-2-1-3-14(16)5-4-12/h2-5,13H,6-11,16H2
InChIKeyOZDIUXZFQUIJSF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.16
Rot. Bonds3

About 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine

4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine (PubChem CID 123442072) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine.

Molecular Properties

Compound Name4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
PubChem CID123442072
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
SMILESNC1=CC=C(C2CCN(CCF)CC2)C=C=C1
InChIInChI=1S/C14H19FN2/c15-8-11-17-9-6-13(7-10-17)12-2-1-3-14(16)5-4-12/h2-5,13H,6-11,16H2
InChIKeyOZDIUXZFQUIJSF-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine?
The IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine (CID 123442072) is 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine.
What is the SMILES notation for 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine?
The canonical SMILES for 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine is NC1=CC=C(C2CCN(CCF)CC2)C=C=C1.
What is the InChIKey of 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine?
The InChIKey is OZDIUXZFQUIJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-8-11-17-9-6-13(7-10-17)12-2-1-3-14(16)5-4-12/h2-5,13H,6-11,16H2.
What are the key properties of 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine?
4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine has a molecular weight of 234.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine is sourced from PubChem (CID 123442072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).