1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine

C25H28FN3 — CID 74697114

IUPAC1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine
SMILESFc1ccc(CN2CCC(C3CC(c4cccc5ccccc45)NN3)CC2)cc1
InChIInChI=1S/C25H28FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20,24-25,27-28H,12-17H2
InChIKeySGDUKFLGSKREMO-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.80
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine

1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine (PubChem CID 74697114) has the molecular formula C25H28FN3 and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine
PubChem CID74697114
Molecular FormulaC25H28FN3
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine
SMILESFc1ccc(CN2CCC(C3CC(c4cccc5ccccc45)NN3)CC2)cc1
InChIInChI=1S/C25H28FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20,24-25,27-28H,12-17H2
InChIKeySGDUKFLGSKREMO-UHFFFAOYSA-N
XLogP4.80
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine (CID 74697114) is 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine is Fc1ccc(CN2CCC(C3CC(c4cccc5ccccc45)NN3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine?
The InChIKey is SGDUKFLGSKREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3/c26-21-10-8-18(9-11-21)17-29-14-12-20(13-15-29)24-16-25(28-27-24)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20,24-25,27-28H,12-17H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine?
1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine has a molecular weight of 389.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(5-naphthalen-1-ylpyrazolidin-3-yl)piperidine is sourced from PubChem (CID 74697114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).