2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol

C15H24N2O — CID 82979927

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2ccccc2O)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-7-13(8-10-16)11-17(2)12-14-5-3-4-6-15(14)18/h3-6,13,18H,7-12H2,1-2H3
InChIKeyDWMFRLXNFTWOFS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds4

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (PubChem CID 82979927) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
PubChem CID82979927
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCN1CCC(CN(C)Cc2ccccc2O)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-7-13(8-10-16)11-17(2)12-14-5-3-4-6-15(14)18/h3-6,13,18H,7-12H2,1-2H3
InChIKeyDWMFRLXNFTWOFS-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 112553641
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
CID 63236813
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-fluoro-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115572
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058
2-[(dimethylamino)methyl]phenol;4-methylmorpholine
CID 160689906
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (CID 82979927) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is CN1CCC(CN(C)Cc2ccccc2O)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The InChIKey is DWMFRLXNFTWOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-9-7-13(8-10-16)11-17(2)12-14-5-3-4-6-15(14)18/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82979927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).