4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine

C22H28FN3 — CID 74780885

IUPAC4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
SMILESFc1cccc(C2CNNC2C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28FN3/c23-20-8-4-7-19(15-20)21-16-24-25-22(21)18-10-13-26(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,21-22,24-25H,9-14,16H2
InChIKeyJLCASBVYJOYUHO-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.34
Rot. Bonds5

About 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine

4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine (PubChem CID 74780885) has the molecular formula C22H28FN3 and a molecular weight of 353.48 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
PubChem CID74780885
Molecular FormulaC22H28FN3
Molecular Weight353.48 g/mol
Exact Mass353.23
IUPAC Name4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
SMILESFc1cccc(C2CNNC2C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28FN3/c23-20-8-4-7-19(15-20)21-16-24-25-22(21)18-10-13-26(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,21-22,24-25H,9-14,16H2
InChIKeyJLCASBVYJOYUHO-UHFFFAOYSA-N
XLogP3.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 74498362
3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591
2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one
CID 78085466
4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine
CID 57053543
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
(3aS,6aS)-1-[1-(2-phenylethyl)piperidin-4-yl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 121497137
1,4-bis(2-phenylethyl)piperidine
CID 86059939
6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
CID 22068396

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine (CID 74780885) is 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine is Fc1cccc(C2CNNC2C2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is JLCASBVYJOYUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c23-20-8-4-7-19(15-20)21-16-24-25-22(21)18-10-13-26(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,21-22,24-25H,9-14,16H2.
What are the key properties of 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine?
4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 353.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 74780885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).