6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C25H29FN4 — CID 18414394

IUPAC6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C25H29FN4/c26-23-10-6-21(7-11-23)13-15-30-18-16-29(17-19-30)14-12-20-4-8-22(9-5-20)24-2-1-3-25(27)28-24/h1-11H,12-19H2,(H2,27,28)
InChIKeyXJZNAYHRWKLHGC-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.87
Rot. Bonds7

About 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 18414394) has the molecular formula C25H29FN4 and a molecular weight of 404.53 g/mol. Its IUPAC name is 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID18414394
Molecular FormulaC25H29FN4
Molecular Weight404.53 g/mol
Exact Mass404.24
IUPAC Name6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccc(F)cc4)CC3)cc2)n1
InChIInChI=1S/C25H29FN4/c26-23-10-6-21(7-11-23)13-15-30-18-16-29(17-19-30)14-12-20-4-8-22(9-5-20)24-2-1-3-25(27)28-24/h1-11H,12-19H2,(H2,27,28)
InChIKeyXJZNAYHRWKLHGC-UHFFFAOYSA-N
XLogP3.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 18414394) is 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(CCc4ccc(F)cc4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is XJZNAYHRWKLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4/c26-23-10-6-21(7-11-23)13-15-30-18-16-29(17-19-30)14-12-20-4-8-22(9-5-20)24-2-1-3-25(27)28-24/h1-11H,12-19H2,(H2,27,28).
What are the key properties of 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 404.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 18414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).