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

C22H28FN3 — CID 74802591

IUPAC3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCCC(C3NNCC3c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H28FN3/c1-16-5-2-6-17(11-16)14-26-10-4-8-19(15-26)22-21(13-24-25-22)18-7-3-9-20(23)12-18/h2-3,5-7,9,11-12,19,21-22,24-25H,4,8,10,13-15H2,1H3
InChIKeyNBJKJMDDTFFDNE-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.61
Rot. Bonds4

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

3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine (PubChem CID 74802591) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
PubChem CID74802591
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCCC(C3NNCC3c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H28FN3/c1-16-5-2-6-17(11-16)14-26-10-4-8-19(15-26)22-21(13-24-25-22)18-7-3-9-20(23)12-18/h2-3,5-7,9,11-12,19,21-22,24-25H,4,8,10,13-15H2,1H3
InChIKeyNBJKJMDDTFFDNE-UHFFFAOYSA-N
XLogP3.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74570100
1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 74498362
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
CID 74780885
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 74787142
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine (CID 74802591) is 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine is Cc1cccc(CN2CCCC(C3NNCC3c3cccc(F)c3)C2)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
The InChIKey is NBJKJMDDTFFDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-16-5-2-6-17(11-16)14-26-10-4-8-19(15-26)22-21(13-24-25-22)18-7-3-9-20(23)12-18/h2-3,5-7,9,11-12,19,21-22,24-25H,4,8,10,13-15H2,1H3.
What are the key properties of 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine?
3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine has a molecular weight of 353.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 74802591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).