5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol

C14H22N2O2 — CID 61264001

IUPAC5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
SMILESCOc1ccc(CNC2CCCN(C)C2)c(O)c1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-12(10-16)15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeyXCOUCQRHZLHELK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds4

About 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol

5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol (PubChem CID 61264001) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
PubChem CID61264001
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
SMILESCOc1ccc(CNC2CCCN(C)C2)c(O)c1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-12(10-16)15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3
InChIKeyXCOUCQRHZLHELK-UHFFFAOYSA-N
XLogP1.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
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

2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol (CID 61264001) is 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol is COc1ccc(CNC2CCCN(C)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
The InChIKey is XCOUCQRHZLHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-7-3-4-12(10-16)15-9-11-5-6-13(18-2)8-14(11)17/h5-6,8,12,15,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol?
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 61264001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).