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

C16H25ClN2 — CID 90680742

IUPAC4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
SMILESC1=CC2C3CC3C1C1CN(C3CCNCC3)CC21.Cl
InChIInChI=1S/C16H24N2.ClH/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;1H
InChIKeyXXLDHXVUTVCVFY-UHFFFAOYSA-N
MW280.84 g/mol
LogP2.16
Rot. Bonds1

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

4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride (PubChem CID 90680742) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
PubChem CID90680742
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride
SMILESC1=CC2C3CC3C1C1CN(C3CCNCC3)CC21.Cl
InChIInChI=1S/C16H24N2.ClH/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;1H
InChIKeyXXLDHXVUTVCVFY-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 52.16
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;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride (CID 90680742) is 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride is C1=CC2C3CC3C1C1CN(C3CCNCC3)CC21.Cl.
What is the InChIKey of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
The InChIKey is XXLDHXVUTVCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.ClH/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;1H.
What are the key properties of 4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride?
4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 90680742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).