4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol

C15H24N2O2 — CID 61205073

IUPAC4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCNCC1CCCN(Cc2cc(OC)ccc2O)C1
InChIInChI=1S/C15H24N2O2/c1-16-9-12-4-3-7-17(10-12)11-13-8-14(19-2)5-6-15(13)18/h5-6,8,12,16,18H,3-4,7,9-11H2,1-2H3
InChIKeyXNAOJMZQMGPZAA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds5

About 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol

4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol (PubChem CID 61205073) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
PubChem CID61205073
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCNCC1CCCN(Cc2cc(OC)ccc2O)C1
InChIInChI=1S/C15H24N2O2/c1-16-9-12-4-3-7-17(10-12)11-13-8-14(19-2)5-6-15(13)18/h5-6,8,12,16,18H,3-4,7,9-11H2,1-2H3
InChIKeyXNAOJMZQMGPZAA-UHFFFAOYSA-N
XLogP1.83
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120965928
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(bromomethyl)piperidine
CID 80679081
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol (CID 61205073) is 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol is CNCC1CCCN(Cc2cc(OC)ccc2O)C1.
What is the InChIKey of 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is XNAOJMZQMGPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-9-12-4-3-7-17(10-12)11-13-8-14(19-2)5-6-15(13)18/h5-6,8,12,16,18H,3-4,7,9-11H2,1-2H3.
What are the key properties of 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 61205073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).