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

C16H26N2O2 — CID 82979480

IUPAC5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)C2CCCN(C)C2)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-12(15-8-7-14(20-4)10-16(15)19)18(3)13-6-5-9-17(2)11-13/h7-8,10,12-13,19H,5-6,9,11H2,1-4H3
InChIKeyQMEHNYWOSFAGJH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds4

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

5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol (PubChem CID 82979480) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
PubChem CID82979480
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)C2CCCN(C)C2)c(O)c1
InChIInChI=1S/C16H26N2O2/c1-12(15-8-7-14(20-4)10-16(15)19)18(3)13-6-5-9-17(2)11-13/h7-8,10,12-13,19H,5-6,9,11H2,1-4H3
InChIKeyQMEHNYWOSFAGJH-UHFFFAOYSA-N
XLogP2.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
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

3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
CID 79089965
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol (CID 82979480) is 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol is COc1ccc(C(C)N(C)C2CCCN(C)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
The InChIKey is QMEHNYWOSFAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(15-8-7-14(20-4)10-16(15)19)18(3)13-6-5-9-17(2)11-13/h7-8,10,12-13,19H,5-6,9,11H2,1-4H3.
What are the key properties of 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol?
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 82979480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).