2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol

C16H25NO2 — CID 102969229

IUPAC2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
SMILESCOC1CN(C(C)c2ccc(C)cc2O)CCC1C
InChIInChI=1S/C16H25NO2/c1-11-5-6-14(15(18)9-11)13(3)17-8-7-12(2)16(10-17)19-4/h5-6,9,12-13,16,18H,7-8,10H2,1-4H3
InChIKeyWELCRDHCXKVFDP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.12
Rot. Bonds3

About 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol

2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol (PubChem CID 102969229) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
PubChem CID102969229
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
SMILESCOC1CN(C(C)c2ccc(C)cc2O)CCC1C
InChIInChI=1S/C16H25NO2/c1-11-5-6-14(15(18)9-11)13(3)17-8-7-12(2)16(10-17)19-4/h5-6,9,12-13,16,18H,7-8,10H2,1-4H3
InChIKeyWELCRDHCXKVFDP-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982334
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
CID 82976718
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
5-methyl-2-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenol
CID 82965331
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
CID 82979180
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
2-[1-(1,3-dihydroisoindol-2-yl)ethyl]-5-methylphenol
CID 82979195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol (CID 102969229) is 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol is COC1CN(C(C)c2ccc(C)cc2O)CCC1C.
What is the InChIKey of 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol?
The InChIKey is WELCRDHCXKVFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-5-6-14(15(18)9-11)13(3)17-8-7-12(2)16(10-17)19-4/h5-6,9,12-13,16,18H,7-8,10H2,1-4H3.
What are the key properties of 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol?
2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol is sourced from PubChem (CID 102969229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).