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

C23H30FN3O — CID 23723633

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1
InChIInChI=1S/C23H30FN3O/c1-28-23-10-8-21(9-11-23)26-13-15-27(16-14-26)22-3-2-12-25(18-22)17-19-4-6-20(24)7-5-19/h4-11,22H,2-3,12-18H2,1H3
InChIKeyNWAQAOGVPPUOER-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.62
Rot. Bonds5

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

1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine (PubChem CID 23723633) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
PubChem CID23723633
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1
InChIInChI=1S/C23H30FN3O/c1-28-23-10-8-21(9-11-23)26-13-15-27(16-14-26)22-3-2-12-25(18-22)17-19-4-6-20(24)7-5-19/h4-11,22H,2-3,12-18H2,1H3
InChIKeyNWAQAOGVPPUOER-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine (CID 23723633) is 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(C3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is NWAQAOGVPPUOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-28-23-10-8-21(9-11-23)26-13-15-27(16-14-26)22-3-2-12-25(18-22)17-19-4-6-20(24)7-5-19/h4-11,22H,2-3,12-18H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine?
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)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-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 23723633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).