4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol

C22H28FNO2 — CID 172690145

IUPAC4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
SMILESCC(C)(C)N1CCC(COc2ccc(-c3ccc(O)cc3)cc2F)CC1
InChIInChI=1S/C22H28FNO2/c1-22(2,3)24-12-10-16(11-13-24)15-26-21-9-6-18(14-20(21)23)17-4-7-19(25)8-5-17/h4-9,14,16,25H,10-13,15H2,1-3H3
InChIKeyBOMOLVVMESAKPJ-UHFFFAOYSA-N
MW357.47 g/mol
LogP5.09
Rot. Bonds4

About 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol

4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol (PubChem CID 172690145) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol.

Molecular Properties

Compound Name4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
PubChem CID172690145
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
SMILESCC(C)(C)N1CCC(COc2ccc(-c3ccc(O)cc3)cc2F)CC1
InChIInChI=1S/C22H28FNO2/c1-22(2,3)24-12-10-16(11-13-24)15-26-21-9-6-18(14-20(21)23)17-4-7-19(25)8-5-17/h4-9,14,16,25H,10-13,15H2,1-3H3
InChIKeyBOMOLVVMESAKPJ-UHFFFAOYSA-N
XLogP5.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
CID 90026685
tert-butyl 4-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24993711
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
1-tert-butyl-4-[(2-methoxy-5-nitrophenoxy)methyl]piperidine
CID 146317632
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757
1-(2-ethyl-2-fluorobutyl)-4-[[2-fluoro-4-(2-fluorophenyl)phenoxy]methyl]piperidine
CID 141382208
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
CID 146589278
4-[[2-fluoro-4-[4-(2-piperidin-1-ylprop-2-enyl)phenyl]phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine
CID 146229081
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
CID 146353183
2-[4-[[4-(3,3-dioxo-1,3λ6-benzoxathiol-6-yl)-2-fluorophenoxy]methyl]piperidin-1-yl]butanoic acid
CID 154699254

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol?
The IUPAC name of 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol (CID 172690145) is 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol.
What is the SMILES notation for 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol?
The canonical SMILES for 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol is CC(C)(C)N1CCC(COc2ccc(-c3ccc(O)cc3)cc2F)CC1.
What is the InChIKey of 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol?
The InChIKey is BOMOLVVMESAKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO2/c1-22(2,3)24-12-10-16(11-13-24)15-26-21-9-6-18(14-20(21)23)17-4-7-19(25)8-5-17/h4-9,14,16,25H,10-13,15H2,1-3H3.
What are the key properties of 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol?
4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol has a molecular weight of 357.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol is sourced from PubChem (CID 172690145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).