2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol

C15H24N2O2 — CID 82983581

IUPAC2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCCC(N(C)C)C2)c1O
InChIInChI=1S/C15H24N2O2/c1-16(2)13-7-5-9-17(11-13)10-12-6-4-8-14(19-3)15(12)18/h4,6,8,13,18H,5,7,9-11H2,1-3H3
InChIKeyMFISCGYBGUPEDU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds4

About 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol

2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol (PubChem CID 82983581) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
PubChem CID82983581
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCCC(N(C)C)C2)c1O
InChIInChI=1S/C15H24N2O2/c1-16(2)13-7-5-9-17(11-13)10-12-6-4-8-14(19-3)15(12)18/h4,6,8,13,18H,5,7,9-11H2,1-3H3
InChIKeyMFISCGYBGUPEDU-UHFFFAOYSA-N
XLogP1.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
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-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 82974216
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol (CID 82983581) is 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol is COc1cccc(CN2CCCC(N(C)C)C2)c1O.
What is the InChIKey of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is MFISCGYBGUPEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16(2)13-7-5-9-17(11-13)10-12-6-4-8-14(19-3)15(12)18/h4,6,8,13,18H,5,7,9-11H2,1-3H3.
What are the key properties of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol?
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 82983581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).