1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine

C23H30FN3O — CID 23723290

IUPAC1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H30FN3O/c1-28-23-7-3-2-5-19(23)17-25-12-4-6-22(18-25)27-15-13-26(14-16-27)21-10-8-20(24)9-11-21/h2-3,5,7-11,22H,4,6,12-18H2,1H3
InChIKeyMOFHHEXOADQACO-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine

1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine (PubChem CID 23723290) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
PubChem CID23723290
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H30FN3O/c1-28-23-7-3-2-5-19(23)17-25-12-4-6-22(18-25)27-15-13-26(14-16-27)21-10-8-20(24)9-11-21/h2-3,5,7-11,22H,4,6,12-18H2,1H3
InChIKeyMOFHHEXOADQACO-UHFFFAOYSA-N
XLogP3.62
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine (CID 23723290) is 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine is COc1ccccc1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The InChIKey is MOFHHEXOADQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-28-23-7-3-2-5-19(23)17-25-12-4-6-22(18-25)27-15-13-26(14-16-27)21-10-8-20(24)9-11-21/h2-3,5,7-11,22H,4,6,12-18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine has a molecular weight of 383.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 23723290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).