[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol

C16H26N2O2 — CID 62545227

IUPAC[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N2O2/c1-17-8-4-5-15(11-17)18(2)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3
InChIKeyYVDTYVYNETVRJM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.71
Rot. Bonds5

About [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol

[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol (PubChem CID 62545227) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
PubChem CID62545227
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H26N2O2/c1-17-8-4-5-15(11-17)18(2)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3
InChIKeyYVDTYVYNETVRJM-UHFFFAOYSA-N
XLogP1.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
methyl 3-bromo-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzoate
CID 102767577
[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol (CID 62545227) is [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol is COc1ccc(CO)cc1CN(C)C1CCCN(C)C1.
What is the InChIKey of [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol?
The InChIKey is YVDTYVYNETVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-8-4-5-15(11-17)18(2)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol?
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 62545227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).