1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine

C19H31NO3 — CID 134712618

IUPAC1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1CCOc1ccc(C)cc1OC
InChIInChI=1S/C19H31NO3/c1-16-9-10-18(19(15-16)22-3)23-14-12-20-11-5-4-7-17(20)8-6-13-21-2/h9-10,15,17H,4-8,11-14H2,1-3H3
InChIKeyWCFIJNWUCMYOQI-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.66
Rot. Bonds9

About 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine

1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine (PubChem CID 134712618) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
PubChem CID134712618
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1CCOc1ccc(C)cc1OC
InChIInChI=1S/C19H31NO3/c1-16-9-10-18(19(15-16)22-3)23-14-12-20-11-5-4-7-17(20)8-6-13-21-2/h9-10,15,17H,4-8,11-14H2,1-3H3
InChIKeyWCFIJNWUCMYOQI-UHFFFAOYSA-N
XLogP3.66
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
CID 154903203
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine (CID 134712618) is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine is COCCCC1CCCCN1CCOc1ccc(C)cc1OC.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine?
The InChIKey is WCFIJNWUCMYOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-16-9-10-18(19(15-16)22-3)23-14-12-20-11-5-4-7-17(20)8-6-13-21-2/h9-10,15,17H,4-8,11-14H2,1-3H3.
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine?
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine has a molecular weight of 321.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine is sourced from PubChem (CID 134712618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).