2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol

C14H20FNO — CID 112616106

IUPAC2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
SMILESCCC1CCCN(Cc2cccc(F)c2O)C1
InChIInChI=1S/C14H20FNO/c1-2-11-5-4-8-16(9-11)10-12-6-3-7-13(15)14(12)17/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyQFCZTNCSGYXKNR-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol

2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol (PubChem CID 112616106) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
PubChem CID112616106
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
SMILESCCC1CCCN(Cc2cccc(F)c2O)C1
InChIInChI=1S/C14H20FNO/c1-2-11-5-4-8-16(9-11)10-12-6-3-7-13(15)14(12)17/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyQFCZTNCSGYXKNR-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.15
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-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115463747
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
CID 56750737

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol?
The IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol (CID 112616106) is 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol is CCC1CCCN(Cc2cccc(F)c2O)C1.
What is the InChIKey of 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol?
The InChIKey is QFCZTNCSGYXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-11-5-4-8-16(9-11)10-12-6-3-7-13(15)14(12)17/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol?
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol has a molecular weight of 237.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol is sourced from PubChem (CID 112616106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).