4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol

C15H22FNO — CID 103275846

IUPAC4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)C(C)N(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C15H22FNO/c1-10-6-11(2)12(3)17(8-10)9-13-7-14(16)4-5-15(13)18/h4-5,7,10-12,18H,6,8-9H2,1-3H3
InChIKeyIZJJGFALCQGCCC-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.40
Rot. Bonds2

About 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol

4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (PubChem CID 103275846) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
PubChem CID103275846
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
SMILESCC1CC(C)C(C)N(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C15H22FNO/c1-10-6-11(2)12(3)17(8-10)9-13-7-14(16)4-5-15(13)18/h4-5,7,10-12,18H,6,8-9H2,1-3H3
InChIKeyIZJJGFALCQGCCC-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388
2,4-dichloro-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114597986
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-4-fluorobenzonitrile
CID 113256637
4-bromo-2-methyl-6-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 114598012
4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
CID 114221675
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592305
3-methyl-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597360
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 114596163
3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597359
2-fluoro-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzonitrile
CID 103275030
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol (CID 103275846) is 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is CC1CC(C)C(C)N(Cc2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is IZJJGFALCQGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-6-11(2)12(3)17(8-10)9-13-7-14(16)4-5-15(13)18/h4-5,7,10-12,18H,6,8-9H2,1-3H3.
What are the key properties of 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol?
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 251.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 103275846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).