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

C21H27FN2O2 — CID 45167838

IUPAC2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
SMILESCCOc1cccc(CNC2CCCN(Cc3ccccc3F)C2)c1O
InChIInChI=1S/C21H27FN2O2/c1-2-26-20-11-5-8-16(21(20)25)13-23-18-9-6-12-24(15-18)14-17-7-3-4-10-19(17)22/h3-5,7-8,10-11,18,23,25H,2,6,9,12-15H2,1H3
InChIKeyWNDKDBZOXLOHAH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.68
Rot. Bonds7

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

2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol (PubChem CID 45167838) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
PubChem CID45167838
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
SMILESCCOc1cccc(CNC2CCCN(Cc3ccccc3F)C2)c1O
InChIInChI=1S/C21H27FN2O2/c1-2-26-20-11-5-8-16(21(20)25)13-23-18-9-6-12-24(15-18)14-17-7-3-4-10-19(17)22/h3-5,7-8,10-11,18,23,25H,2,6,9,12-15H2,1H3
InChIKeyWNDKDBZOXLOHAH-UHFFFAOYSA-N
XLogP3.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
(3S)-1-[(2-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-amine
CID 28979968
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 131918704
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol (CID 45167838) is 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol is CCOc1cccc(CNC2CCCN(Cc3ccccc3F)C2)c1O.
What is the InChIKey of 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol?
The InChIKey is WNDKDBZOXLOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-2-26-20-11-5-8-16(21(20)25)13-23-18-9-6-12-24(15-18)14-17-7-3-4-10-19(17)22/h3-5,7-8,10-11,18,23,25H,2,6,9,12-15H2,1H3.
What are the key properties of 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol?
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol has a molecular weight of 358.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol is sourced from PubChem (CID 45167838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).