2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid

C16H23NO6 — CID 163328183

IUPAC2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
SMILESCOc1cccc(CN2CCC(C)CC2)c1O.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO2.C2H2O4/c1-11-6-8-15(9-7-11)10-12-4-3-5-13(17-2)14(12)16;3-1(4)2(5)6/h3-5,11,16H,6-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZAZJSOVSJOLVAT-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.79
Rot. Bonds3

About 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid

2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid (PubChem CID 163328183) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid.

Molecular Properties

Compound Name2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
PubChem CID163328183
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
SMILESCOc1cccc(CN2CCC(C)CC2)c1O.O=C(O)C(=O)O
InChIInChI=1S/C14H21NO2.C2H2O4/c1-11-6-8-15(9-7-11)10-12-4-3-5-13(17-2)14(12)16;3-1(4)2(5)6/h3-5,11,16H,6-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZAZJSOVSJOLVAT-UHFFFAOYSA-N
XLogP1.79
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328069
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid?
The IUPAC name of 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid (CID 163328183) is 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid.
What is the SMILES notation for 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid?
The canonical SMILES for 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid is COc1cccc(CN2CCC(C)CC2)c1O.O=C(O)C(=O)O.
What is the InChIKey of 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid?
The InChIKey is ZAZJSOVSJOLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C2H2O4/c1-11-6-8-15(9-7-11)10-12-4-3-5-13(17-2)14(12)16;3-1(4)2(5)6/h3-5,11,16H,6-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid?
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid has a molecular weight of 325.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid is sourced from PubChem (CID 163328183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).