2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol

C22H29FN2O2 — CID 92770229

IUPAC2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
SMILESCCOc1cccc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1O
InChIInChI=1S/C22H29FN2O2/c1-3-27-21-12-6-9-18(22(21)26)14-24(2)19-10-7-13-25(16-19)15-17-8-4-5-11-20(17)23/h4-6,8-9,11-12,19,26H,3,7,10,13-16H2,1-2H3/t19-/m1/s1
InChIKeyIYSRPKGRWHOZSL-LJQANCHMSA-N
MW372.48 g/mol
LogP4.03
Rot. Bonds7

About 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol

2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol (PubChem CID 92770229) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
PubChem CID92770229
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
SMILESCCOc1cccc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1O
InChIInChI=1S/C22H29FN2O2/c1-3-27-21-12-6-9-18(22(21)26)14-24(2)19-10-7-13-25(16-19)15-17-8-4-5-11-20(17)23/h4-6,8-9,11-12,19,26H,3,7,10,13-16H2,1-2H3/t19-/m1/s1
InChIKeyIYSRPKGRWHOZSL-LJQANCHMSA-N
XLogP4.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
CID 45209442
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335431
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
CID 51633841

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol (CID 92770229) is 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol is CCOc1cccc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1O.
What is the InChIKey of 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol?
The InChIKey is IYSRPKGRWHOZSL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-3-27-21-12-6-9-18(22(21)26)14-24(2)19-10-7-13-25(16-19)15-17-8-4-5-11-20(17)23/h4-6,8-9,11-12,19,26H,3,7,10,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol?
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol has a molecular weight of 372.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol is sourced from PubChem (CID 92770229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).