1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine

C21H32N2O — CID 171070298

IUPAC1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
SMILESCc1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-17-5-7-18(8-6-17)23-13-9-20(10-14-23)24-21-15-19(16-21)22-11-3-2-4-12-22/h5-8,19-21H,2-4,9-16H2,1H3
InChIKeyAQFOMVIVGCLBQD-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine

1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine (PubChem CID 171070298) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
PubChem CID171070298
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
SMILESCc1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1
InChIInChI=1S/C21H32N2O/c1-17-5-7-18(8-6-17)23-13-9-20(10-14-23)24-21-15-19(16-21)22-11-3-2-4-12-22/h5-8,19-21H,2-4,9-16H2,1H3
InChIKeyAQFOMVIVGCLBQD-UHFFFAOYSA-N
XLogP4.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
CID 171429573
1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171069376
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
CID 70660881
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
CID 69354924
1-[4-(bromomethyl)-3-methylphenyl]-4-piperidin-1-ylpiperidine
CID 107080833

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The IUPAC name of 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine (CID 171070298) is 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The canonical SMILES for 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine is Cc1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The InChIKey is AQFOMVIVGCLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17-5-7-18(8-6-17)23-13-9-20(10-14-23)24-21-15-19(16-21)22-11-3-2-4-12-22/h5-8,19-21H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine has a molecular weight of 328.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine is sourced from PubChem (CID 171070298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).