4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol

C20H24FNO3 — CID 95719824

IUPAC4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O
InChIInChI=1S/C20H24FNO3/c1-24-20-11-15(4-9-19(20)23)12-22-10-2-3-16(13-22)14-25-18-7-5-17(21)6-8-18/h4-9,11,16,23H,2-3,10,12-14H2,1H3/t16-/m1/s1
InChIKeyGACWKHPVVFQUIJ-MRXNPFEDSA-N
MW345.41 g/mol
LogP3.83
Rot. Bonds6

About 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol

4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol (PubChem CID 95719824) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
PubChem CID95719824
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O
InChIInChI=1S/C20H24FNO3/c1-24-20-11-15(4-9-19(20)23)12-22-10-2-3-16(13-22)14-25-18-7-5-17(21)6-8-18/h4-9,11,16,23H,2-3,10,12-14H2,1H3/t16-/m1/s1
InChIKeyGACWKHPVVFQUIJ-MRXNPFEDSA-N
XLogP3.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;oxalic acid
CID 2838108
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
4-(4-fluorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 46961088
(3aR,4S,6aR)-4-(4-fluorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 124798596
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol (CID 95719824) is 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol is COc1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O.
What is the InChIKey of 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is GACWKHPVVFQUIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-20-11-15(4-9-19(20)23)12-22-10-2-3-16(13-22)14-25-18-7-5-17(21)6-8-18/h4-9,11,16,23H,2-3,10,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol?
4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 345.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 95719824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).