4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine

C22H35NO2 — CID 158682800

IUPAC4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine
SMILESCOCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H35NO2/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3
InChIKeyUMFOJSDZVITHPJ-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.85
Rot. Bonds9

About 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine

4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine (PubChem CID 158682800) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine
PubChem CID158682800
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine
SMILESCOCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H35NO2/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3
InChIKeyUMFOJSDZVITHPJ-UHFFFAOYSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-1-(4-fluorophenoxy)-4-methylhexa-3,5-dien-2-yl]-4-(3-methoxypropyl)piperidine
CID 167106710
1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine
CID 142475273
1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine
CID 167684186
1-[2,6-dimethyl-6-(4-piperidin-1-ylphenyl)hept-2-en-4-yl]-4-(3-methoxypropyl)piperidine
CID 158385109
1-[3-(3-methoxypropyl)-2,5-dimethylhex-4-en-2-yl]oxy-4-methylbenzene
CID 159325536
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
CID 19738810
4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
CID 117236908
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
3-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 25280159
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-methyl-5-[3-(4-methylphenoxy)propyl]-1,3-dioxane-2-carboxylic acid
CID 11737959

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine?
The IUPAC name of 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine (CID 158682800) is 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine.
What is the SMILES notation for 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine?
The canonical SMILES for 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine is COCCCC1CCN(C(C=C(C)C)COc2ccc(C)cc2)CC1.
What is the InChIKey of 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine?
The InChIKey is UMFOJSDZVITHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-18(2)16-21(17-25-22-9-7-19(3)8-10-22)23-13-11-20(12-14-23)6-5-15-24-4/h7-10,16,20-21H,5-6,11-15,17H2,1-4H3.
What are the key properties of 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine?
4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine has a molecular weight of 345.53 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine is sourced from PubChem (CID 158682800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).