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

C20H30N2O — CID 171069376

IUPAC1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
SMILESc1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1
InChIInChI=1S/C20H30N2O/c1-3-7-17(8-4-1)22-13-9-19(10-14-22)23-20-15-18(16-20)21-11-5-2-6-12-21/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChIKeyBQHQIUIHHZJGEU-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.69
Rot. Bonds4

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

1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine (PubChem CID 171069376) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Name1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
PubChem CID171069376
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
SMILESc1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1
InChIInChI=1S/C20H30N2O/c1-3-7-17(8-4-1)22-13-9-19(10-14-22)23-20-15-18(16-20)21-11-5-2-6-12-21/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChIKeyBQHQIUIHHZJGEU-UHFFFAOYSA-N
XLogP3.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171070298
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
CID 70660881
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
CID 171429573
1-cycloheptyl-4-phenylpiperazine
CID 2846720
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130829
methylcyclohexane;1-phenylpiperidine
CID 174582589
ethoxyethane;1-phenylpiperidine
CID 174883082
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The IUPAC name of 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine (CID 171069376) is 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine.
What is the SMILES notation for 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The canonical SMILES for 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine is c1ccc(N2CCC(OC3CC(N4CCCCC4)C3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
The InChIKey is BQHQIUIHHZJGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-7-17(8-4-1)22-13-9-19(10-14-22)23-20-15-18(16-20)21-11-5-2-6-12-21/h1,3-4,7-8,18-20H,2,5-6,9-16H2.
What are the key properties of 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine?
1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine has a molecular weight of 314.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine is sourced from PubChem (CID 171069376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).