2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol

C14H22N2O2 — CID 79986823

IUPAC2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CC(C)CC(N)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-10-6-12(15)9-16(7-10)8-11-4-3-5-13(18-2)14(11)17/h3-5,10,12,17H,6-9,15H2,1-2H3
InChIKeyUTOGHCNSEMTQBH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds3

About 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol

2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol (PubChem CID 79986823) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
PubChem CID79986823
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CC(C)CC(N)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-10-6-12(15)9-16(7-10)8-11-4-3-5-13(18-2)14(11)17/h3-5,10,12,17H,6-9,15H2,1-2H3
InChIKeyUTOGHCNSEMTQBH-UHFFFAOYSA-N
XLogP1.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
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-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 82974216
4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
CID 79986347
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol (CID 79986823) is 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol is COc1cccc(CN2CC(C)CC(N)C2)c1O.
What is the InChIKey of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol?
The InChIKey is UTOGHCNSEMTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-12(15)9-16(7-10)8-11-4-3-5-13(18-2)14(11)17/h3-5,10,12,17H,6-9,15H2,1-2H3.
What are the key properties of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol?
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol is sourced from PubChem (CID 79986823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).