1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine

C22H28FN3O — CID 56891572

IUPAC1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(CC2(c3ccc(F)cc3)CCOC2)CC1
InChIInChI=1S/C22H28FN3O/c1-18-3-2-9-24-21(18)15-25-10-12-26(13-11-25)16-22(8-14-27-17-22)19-4-6-20(23)7-5-19/h2-7,9H,8,10-17H2,1H3
InChIKeyQOHYJHODIGJNDF-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.01
Rot. Bonds5

About 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine

1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 56891572) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
PubChem CID56891572
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(CC2(c3ccc(F)cc3)CCOC2)CC1
InChIInChI=1S/C22H28FN3O/c1-18-3-2-9-24-21(18)15-25-10-12-26(13-11-25)16-22(8-14-27-17-22)19-4-6-20(23)7-5-19/h2-7,9H,8,10-17H2,1H3
InChIKeyQOHYJHODIGJNDF-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (CID 56891572) is 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is Cc1cccnc1CN1CCN(CC2(c3ccc(F)cc3)CCOC2)CC1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is QOHYJHODIGJNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-18-3-2-9-24-21(18)15-25-10-12-26(13-11-25)16-22(8-14-27-17-22)19-4-6-20(23)7-5-19/h2-7,9H,8,10-17H2,1H3.
What are the key properties of 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 369.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 56891572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).