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

C21H25F2N3 — CID 74498362

IUPAC1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
SMILESFc1ccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H25F2N3/c22-18-6-4-15(5-7-18)14-26-10-8-16(9-11-26)21-20(13-24-25-21)17-2-1-3-19(23)12-17/h1-7,12,16,20-21,24-25H,8-11,13-14H2
InChIKeyNHWHTFDNRROMJA-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.44
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine (PubChem CID 74498362) has the molecular formula C21H25F2N3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
PubChem CID74498362
Molecular FormulaC21H25F2N3
Molecular Weight357.45 g/mol
Exact Mass357.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
SMILESFc1ccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H25F2N3/c22-18-6-4-15(5-7-18)14-26-10-8-16(9-11-26)21-20(13-24-25-21)17-2-1-3-19(23)12-17/h1-7,12,16,20-21,24-25H,8-11,13-14H2
InChIKeyNHWHTFDNRROMJA-UHFFFAOYSA-N
XLogP3.44
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
CID 74780885
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
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperidine
CID 174420466
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74570100
5-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131658032
1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
CID 167312057
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine (CID 74498362) is 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine is Fc1ccc(CN2CCC(C3NNCC3c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine?
The InChIKey is NHWHTFDNRROMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3/c22-18-6-4-15(5-7-18)14-26-10-8-16(9-11-26)21-20(13-24-25-21)17-2-1-3-19(23)12-17/h1-7,12,16,20-21,24-25H,8-11,13-14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine?
1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine has a molecular weight of 357.45 g/mol, XLogP of 3.44, 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-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine is sourced from PubChem (CID 74498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).