4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine

C25H39NO — CID 58772449

IUPAC4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
SMILESCOc1ccccc1C1CCN(C2CCC3CCC(C)CCC(C3)C2)CC1
InChIInChI=1S/C25H39NO/c1-19-7-9-20-11-12-23(18-21(17-20)10-8-19)26-15-13-22(14-16-26)24-5-3-4-6-25(24)27-2/h3-6,19-23H,7-18H2,1-2H3
InChIKeyTYXKVIXQRVMIQZ-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.26
Rot. Bonds3

About 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine

4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine (PubChem CID 58772449) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
PubChem CID58772449
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
SMILESCOc1ccccc1C1CCN(C2CCC3CCC(C)CCC(C3)C2)CC1
InChIInChI=1S/C25H39NO/c1-19-7-9-20-11-12-23(18-21(17-20)10-8-19)26-15-13-22(14-16-26)24-5-3-4-6-25(24)27-2/h3-6,19-23H,7-18H2,1-2H3
InChIKeyTYXKVIXQRVMIQZ-UHFFFAOYSA-N
XLogP6.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine (CID 58772449) is 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine is COc1ccccc1C1CCN(C2CCC3CCC(C)CCC(C3)C2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine?
The InChIKey is TYXKVIXQRVMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO/c1-19-7-9-20-11-12-23(18-21(17-20)10-8-19)26-15-13-22(14-16-26)24-5-3-4-6-25(24)27-2/h3-6,19-23H,7-18H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine?
4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine has a molecular weight of 369.59 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine is sourced from PubChem (CID 58772449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).