5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol

C23H31FN2O2 — CID 25303878

IUPAC5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1O
InChIInChI=1S/C23H31FN2O2/c1-25(17-20-6-7-23(28-2)22(27)15-20)16-19-9-12-26(13-10-19)11-8-18-4-3-5-21(24)14-18/h3-7,14-15,19,27H,8-13,16-17H2,1-2H3
InChIKeyCMLATOZLOCIBHJ-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.93
Rot. Bonds8

About 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol

5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol (PubChem CID 25303878) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
PubChem CID25303878
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1O
InChIInChI=1S/C23H31FN2O2/c1-25(17-20-6-7-23(28-2)22(27)15-20)16-19-9-12-26(13-10-19)11-8-18-4-3-5-21(24)14-18/h3-7,14-15,19,27H,8-13,16-17H2,1-2H3
InChIKeyCMLATOZLOCIBHJ-UHFFFAOYSA-N
XLogP3.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
2-methoxy-4-[[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 25284204
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860
5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
(2R)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,1-dimethylpiperidine-2-carboxamide
CID 42403620
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 103815780
2-methoxy-5-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol;hydrochloride
CID 119930822

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol (CID 25303878) is 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol is COc1ccc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1O.
What is the InChIKey of 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
The InChIKey is CMLATOZLOCIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-25(17-20-6-7-23(28-2)22(27)15-20)16-19-9-12-26(13-10-19)11-8-18-4-3-5-21(24)14-18/h3-7,14-15,19,27H,8-13,16-17H2,1-2H3.
What are the key properties of 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol?
5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol has a molecular weight of 386.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 25303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).