4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

C16H24N2 — CID 90680743

IUPAC4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESC1=CC2C3CC3C1C1CN(C3CCNCC3)CC21
InChIInChI=1S/C16H24N2/c1-2-12-14-7-13(14)11(1)15-8-18(9-16(12)15)10-3-5-17-6-4-10/h1-2,10-17H,3-9H2
InChIKeyPMBHZQOGSZGMEH-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.74
Rot. Bonds1

About 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene

4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (PubChem CID 90680743) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.

Molecular Properties

Compound Name4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
PubChem CID90680743
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
SMILESC1=CC2C3CC3C1C1CN(C3CCNCC3)CC21
InChIInChI=1S/C16H24N2/c1-2-12-14-7-13(14)11(1)15-8-18(9-16(12)15)10-3-5-17-6-4-10/h1-2,10-17H,3-9H2
InChIKeyPMBHZQOGSZGMEH-UHFFFAOYSA-N
XLogP1.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The IUPAC name of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene (CID 90680743) is 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene.
What is the SMILES notation for 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The canonical SMILES for 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is C1=CC2C3CC3C1C1CN(C3CCNCC3)CC21.
What is the InChIKey of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
The InChIKey is PMBHZQOGSZGMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-12-14-7-13(14)11(1)15-8-18(9-16(12)15)10-3-5-17-6-4-10/h1-2,10-17H,3-9H2.
What are the key properties of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene?
4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene has a molecular weight of 244.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene is sourced from PubChem (CID 90680743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).