2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol

C22H27F2N3O2 — CID 74787142

IUPAC2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1CN1CCCC(C2NNCC2c2ccc(F)cc2F)C1
InChIInChI=1S/C22H27F2N3O2/c1-29-21-6-2-5-20(28)18(21)13-27-9-3-4-14(12-27)22-17(11-25-26-22)16-8-7-15(23)10-19(16)24/h2,5-8,10,14,17,22,25-26,28H,3-4,9,11-13H2,1H3
InChIKeyOTGXNMVJGDUMMN-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.15
Rot. Bonds5

About 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol

2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol (PubChem CID 74787142) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
PubChem CID74787142
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1CN1CCCC(C2NNCC2c2ccc(F)cc2F)C1
InChIInChI=1S/C22H27F2N3O2/c1-29-21-6-2-5-20(28)18(21)13-27-9-3-4-14(12-27)22-17(11-25-26-22)16-8-7-15(23)10-19(16)24/h2,5-8,10,14,17,22,25-26,28H,3-4,9,11-13H2,1H3
InChIKeyOTGXNMVJGDUMMN-UHFFFAOYSA-N
XLogP3.15
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74570100
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
CID 75100275
(4-chloro-2-methylphenyl)-[(3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42344821
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
2-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 45232844
4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 95719824
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol?
The IUPAC name of 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol (CID 74787142) is 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol.
What is the SMILES notation for 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol?
The canonical SMILES for 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol is COc1cccc(O)c1CN1CCCC(C2NNCC2c2ccc(F)cc2F)C1.
What is the InChIKey of 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol?
The InChIKey is OTGXNMVJGDUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-29-21-6-2-5-20(28)18(21)13-27-9-3-4-14(12-27)22-17(11-25-26-22)16-8-7-15(23)10-19(16)24/h2,5-8,10,14,17,22,25-26,28H,3-4,9,11-13H2,1H3.
What are the key properties of 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol?
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol has a molecular weight of 403.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol is sourced from PubChem (CID 74787142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).