4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine

C15H22FNO — CID 59343379

IUPAC4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
SMILESCc1ccc(OCCN2CCC(C)(F)CC2)cc1
InChIInChI=1S/C15H22FNO/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17/h3-6H,7-12H2,1-2H3
InChIKeyGBYIWICKWFHJGG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.20
Rot. Bonds4

About 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine

4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine (PubChem CID 59343379) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
PubChem CID59343379
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
SMILESCc1ccc(OCCN2CCC(C)(F)CC2)cc1
InChIInChI=1S/C15H22FNO/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17/h3-6H,7-12H2,1-2H3
InChIKeyGBYIWICKWFHJGG-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 91162955
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
CID 123280035
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine (CID 59343379) is 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine is Cc1ccc(OCCN2CCC(C)(F)CC2)cc1.
What is the InChIKey of 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine?
The InChIKey is GBYIWICKWFHJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-13-3-5-14(6-4-13)18-12-11-17-9-7-15(2,16)8-10-17/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine?
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine is sourced from PubChem (CID 59343379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).