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

C15H22FNO — CID 107694032

IUPAC2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H22FNO/c1-2-3-12-6-8-17(9-7-12)11-13-4-5-15(18)14(16)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3
InChIKeyUPMUGHZUEMYRER-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.54
Rot. Bonds4

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

2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol (PubChem CID 107694032) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
PubChem CID107694032
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H22FNO/c1-2-3-12-6-8-17(9-7-12)11-13-4-5-15(18)14(16)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3
InChIKeyUPMUGHZUEMYRER-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
CID 82980525
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
CID 107694036
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038
2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol (CID 107694032) is 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol is CCCC1CCN(Cc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol?
The InChIKey is UPMUGHZUEMYRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-12-6-8-17(9-7-12)11-13-4-5-15(18)14(16)10-13/h4-5,10,12,18H,2-3,6-9,11H2,1H3.
What are the key properties of 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol?
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol has a molecular weight of 251.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 107694032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).