4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol

C15H22FNO2 — CID 103947572

IUPAC4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C15H22FNO2/c1-2-8-19-14-4-3-7-17(11-14)10-12-9-13(16)5-6-15(12)18/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyMGZDQUMXILUQJW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.92
Rot. Bonds5

About 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol

4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol (PubChem CID 103947572) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
PubChem CID103947572
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C15H22FNO2/c1-2-8-19-14-4-3-7-17(11-14)10-12-9-13(16)5-6-15(12)18/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyMGZDQUMXILUQJW-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol (CID 103947572) is 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol is CCCOC1CCCN(Cc2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol?
The InChIKey is MGZDQUMXILUQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-8-19-14-4-3-7-17(11-14)10-12-9-13(16)5-6-15(12)18/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol?
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol has a molecular weight of 267.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 103947572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).