2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol

C15H24N2O2 — CID 82983035

IUPAC2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N2O2/c1-16(2)13-5-4-8-17(11-13)10-12-9-14(19-3)6-7-15(12)18/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3
InChIKeyARVZAFCHVHNGBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds4

About 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol

2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol (PubChem CID 82983035) 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]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
PubChem CID82983035
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N2O2/c1-16(2)13-5-4-8-17(11-13)10-12-9-14(19-3)6-7-15(12)18/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3
InChIKeyARVZAFCHVHNGBX-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

4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol (CID 82983035) is 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCCC(N(C)C)C2)c1.
What is the InChIKey of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is ARVZAFCHVHNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16(2)13-5-4-8-17(11-13)10-12-9-14(19-3)6-7-15(12)18/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol?
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-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]-4-methoxyphenol is sourced from PubChem (CID 82983035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).