3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine

C21H26FN3 — CID 155197745

IUPAC3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine
SMILESNc1ncccc1/C=C/c1ccc(C2CCN(CCCF)CC2)cc1
InChIInChI=1S/C21H26FN3/c22-12-2-14-25-15-10-19(11-16-25)18-7-4-17(5-8-18)6-9-20-3-1-13-24-21(20)23/h1,3-9,13,19H,2,10-12,14-16H2,(H2,23,24)/b9-6+
InChIKeyHPMFKRGURLXITG-RMKNXTFCSA-N
MW339.46 g/mol
LogP4.37
Rot. Bonds6

About 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine

3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine (PubChem CID 155197745) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine
PubChem CID155197745
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine
SMILESNc1ncccc1/C=C/c1ccc(C2CCN(CCCF)CC2)cc1
InChIInChI=1S/C21H26FN3/c22-12-2-14-25-15-10-19(11-16-25)18-7-4-17(5-8-18)6-9-20-3-1-13-24-21(20)23/h1,3-9,13,19H,2,10-12,14-16H2,(H2,23,24)/b9-6+
InChIKeyHPMFKRGURLXITG-RMKNXTFCSA-N
XLogP4.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine?
The IUPAC name of 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine (CID 155197745) is 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine.
What is the SMILES notation for 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine?
The canonical SMILES for 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine is Nc1ncccc1/C=C/c1ccc(C2CCN(CCCF)CC2)cc1.
What is the InChIKey of 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine?
The InChIKey is HPMFKRGURLXITG-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H26FN3/c22-12-2-14-25-15-10-19(11-16-25)18-7-4-17(5-8-18)6-9-20-3-1-13-24-21(20)23/h1,3-9,13,19H,2,10-12,14-16H2,(H2,23,24)/b9-6+.
What are the key properties of 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine?
3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine has a molecular weight of 339.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-[1-(3-fluoropropyl)piperidin-4-yl]phenyl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 155197745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).