1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine

C22H34N2O — CID 171429573

IUPAC1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
SMILESCc1ccc(N2CCC(OC3CC(N4CCC(C)CC4)C3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17-3-5-19(6-4-17)23-13-9-21(10-14-23)25-22-15-20(16-22)24-11-7-18(2)8-12-24/h3-6,18,20-22H,7-16H2,1-2H3
InChIKeyWDHROVMEFYLYJI-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine

1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine (PubChem CID 171429573) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
PubChem CID171429573
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
SMILESCc1ccc(N2CCC(OC3CC(N4CCC(C)CC4)C3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17-3-5-19(6-4-17)23-13-9-21(10-14-23)25-22-15-20(16-22)24-11-7-18(2)8-12-24/h3-6,18,20-22H,7-16H2,1-2H3
InChIKeyWDHROVMEFYLYJI-UHFFFAOYSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171070298
1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171069376
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
1-(3-propan-2-yloxycyclobutyl)-4-(3-propan-2-yloxycyclobutyl)oxypiperidine
CID 146340003
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
CID 70660881
5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
CID 69354924
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167698889
ethane;4-methyl-1-phenylpiperidine
CID 143180672

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine?
The IUPAC name of 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine (CID 171429573) is 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine.
What is the SMILES notation for 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine?
The canonical SMILES for 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine is Cc1ccc(N2CCC(OC3CC(N4CCC(C)CC4)C3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine?
The InChIKey is WDHROVMEFYLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17-3-5-19(6-4-17)23-13-9-21(10-14-23)25-22-15-20(16-22)24-11-7-18(2)8-12-24/h3-6,18,20-22H,7-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine?
1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine has a molecular weight of 342.53 g/mol, XLogP of 4.24, 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-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine is sourced from PubChem (CID 171429573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).