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

C15H22FNO2 — CID 107694025

IUPAC2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C15H22FNO2/c1-2-8-19-13-4-3-7-17(11-13)10-12-5-6-15(18)14(16)9-12/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyOLAWYIPMTOLKHH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.92
Rot. Bonds5

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

2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol (PubChem CID 107694025) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
PubChem CID107694025
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
SMILESCCCOC1CCCN(Cc2ccc(O)c(F)c2)C1
InChIInChI=1S/C15H22FNO2/c1-2-8-19-13-4-3-7-17(11-13)10-12-5-6-15(18)14(16)9-12/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyOLAWYIPMTOLKHH-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

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Related Compounds

1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol (CID 107694025) is 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol is CCCOC1CCCN(Cc2ccc(O)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol?
The InChIKey is OLAWYIPMTOLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-8-19-13-4-3-7-17(11-13)10-12-5-6-15(18)14(16)9-12/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol?
2-fluoro-4-[(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 2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 107694025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).