1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline

C24H29FN4O — CID 175248261

IUPAC1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline
SMILESFc1cccc(ON2CCNCC2)c1.c1ccc2nc(N3CCCCC3)ccc2c1
InChIInChI=1S/C14H16N2.C10H13FN2O/c1-4-10-16(11-5-1)14-9-8-12-6-2-3-7-13(12)15-14;11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h2-3,6-9H,1,4-5,10-11H2;1-3,8,12H,4-7H2
InChIKeyOLFWOCUPYHKEOG-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline

1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline (PubChem CID 175248261) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline
PubChem CID175248261
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline
SMILESFc1cccc(ON2CCNCC2)c1.c1ccc2nc(N3CCCCC3)ccc2c1
InChIInChI=1S/C14H16N2.C10H13FN2O/c1-4-10-16(11-5-1)14-9-8-12-6-2-3-7-13(12)15-14;11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h2-3,6-9H,1,4-5,10-11H2;1-3,8,12H,4-7H2
InChIKeyOLFWOCUPYHKEOG-UHFFFAOYSA-N
XLogP4.25
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline?
The IUPAC name of 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline (CID 175248261) is 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline.
What is the SMILES notation for 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline?
The canonical SMILES for 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline is Fc1cccc(ON2CCNCC2)c1.c1ccc2nc(N3CCCCC3)ccc2c1.
What is the InChIKey of 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline?
The InChIKey is OLFWOCUPYHKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C10H13FN2O/c1-4-10-16(11-5-1)14-9-8-12-6-2-3-7-13(12)15-14;11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h2-3,6-9H,1,4-5,10-11H2;1-3,8,12H,4-7H2.
What are the key properties of 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline?
1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline has a molecular weight of 408.52 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline is sourced from PubChem (CID 175248261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).