1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone

C17H26N2O2 — CID 63236813

IUPAC1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(20)15-4-5-17(21)16(10-15)12-19(3)11-14-6-8-18(2)9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3
InChIKeyZNYXQWZJQXHHQP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone

1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone (PubChem CID 63236813) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
PubChem CID63236813
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(20)15-4-5-17(21)16(10-15)12-19(3)11-14-6-8-18(2)9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3
InChIKeyZNYXQWZJQXHHQP-UHFFFAOYSA-N
XLogP2.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
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

1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
1-[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 64521986
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 112553641
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
3-bromo-4-[[cyclopropylmethyl(methyl)amino]methyl]benzoic acid
CID 102767076

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone (CID 63236813) is 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone is CC(=O)c1ccc(O)c(CN(C)CC2CCN(C)CC2)c1.
What is the InChIKey of 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone?
The InChIKey is ZNYXQWZJQXHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(20)15-4-5-17(21)16(10-15)12-19(3)11-14-6-8-18(2)9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone?
1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 63236813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).