2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol

C21H26FN3O — CID 74502965

IUPAC2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCCC(C2NNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H26FN3O/c22-18-8-3-6-15(11-18)19-12-23-24-21(19)17-7-4-10-25(14-17)13-16-5-1-2-9-20(16)26/h1-3,5-6,8-9,11,17,19,21,23-24,26H,4,7,10,12-14H2
InChIKeyVZJSWYJHZAJEJJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.00
Rot. Bonds4

About 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol

2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol (PubChem CID 74502965) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
PubChem CID74502965
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCCC(C2NNCC2c2cccc(F)c2)C1
InChIInChI=1S/C21H26FN3O/c22-18-8-3-6-15(11-18)19-12-23-24-21(19)17-7-4-10-25(14-17)13-16-5-1-2-9-20(16)26/h1-3,5-6,8-9,11,17,19,21,23-24,26H,4,7,10,12-14H2
InChIKeyVZJSWYJHZAJEJJ-UHFFFAOYSA-N
XLogP3.00
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
CID 75100275
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 74498362
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74570100
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 74787142
4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-(2-phenylethyl)piperidine
CID 74780885
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
2-[[3-[4-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 45168258

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol (CID 74502965) is 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol is Oc1ccccc1CN1CCCC(C2NNCC2c2cccc(F)c2)C1.
What is the InChIKey of 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is VZJSWYJHZAJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-18-8-3-6-15(11-18)19-12-23-24-21(19)17-7-4-10-25(14-17)13-16-5-1-2-9-20(16)26/h1-3,5-6,8-9,11,17,19,21,23-24,26H,4,7,10,12-14H2.
What are the key properties of 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 355.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 74502965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).