4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol

C21H26FNO3 — CID 16677696

IUPAC4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
SMILESCOCCOc1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FNO3/c1-25-13-14-26-20-4-2-3-17(15-20)16-23-11-9-21(24,10-12-23)18-5-7-19(22)8-6-18/h2-8,15,24H,9-14,16H2,1H3
InChIKeyXOAIXLSHFVDHQX-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.33
Rot. Bonds7

About 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol

4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 16677696) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
PubChem CID16677696
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
SMILESCOCCOc1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FNO3/c1-25-13-14-26-20-4-2-3-17(15-20)16-23-11-9-21(24,10-12-23)18-5-7-19(22)8-6-18/h2-8,15,24H,9-14,16H2,1H3
InChIKeyXOAIXLSHFVDHQX-UHFFFAOYSA-N
XLogP3.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
CID 66764282
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 16673781
4-(4-fluorophenyl)-1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-ol
CID 19863535
1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
CID 129454035
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
CID 100620709
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977039
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol (CID 16677696) is 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol is COCCOc1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is XOAIXLSHFVDHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-25-13-14-26-20-4-2-3-17(15-20)16-23-11-9-21(24,10-12-23)18-5-7-19(22)8-6-18/h2-8,15,24H,9-14,16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 359.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 16677696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).