2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol

C18H29N3O — CID 176569271

IUPAC2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol
SMILESC[C@H]1NCCC=C1C1=C2CCCC3(N2)NC(CCO)CCC13
InChIInChI=1S/C18H29N3O/c1-12-14(4-3-10-19-12)17-15-7-6-13(8-11-22)20-18(15)9-2-5-16(17)21-18/h4,12-13,15,19-22H,2-3,5-11H2,1H3/t12-,13?,15?,18?/m1/s1
InChIKeyVDBQWDAXTTZGIH-XWRJANFHSA-N
MW303.45 g/mol
LogP1.78
Rot. Bonds3

About 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol

2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol (PubChem CID 176569271) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol
PubChem CID176569271
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol
SMILESC[C@H]1NCCC=C1C1=C2CCCC3(N2)NC(CCO)CCC13
InChIInChI=1S/C18H29N3O/c1-12-14(4-3-10-19-12)17-15-7-6-13(8-11-22)20-18(15)9-2-5-16(17)21-18/h4,12-13,15,19-22H,2-3,5-11H2,1H3/t12-,13?,15?,18?/m1/s1
InChIKeyVDBQWDAXTTZGIH-XWRJANFHSA-N
XLogP1.78
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol?
The IUPAC name of 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol (CID 176569271) is 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol.
What is the SMILES notation for 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol?
The canonical SMILES for 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol is C[C@H]1NCCC=C1C1=C2CCCC3(N2)NC(CCO)CCC13.
What is the InChIKey of 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol?
The InChIKey is VDBQWDAXTTZGIH-XWRJANFHSA-N. The full InChI is InChI=1S/C18H29N3O/c1-12-14(4-3-10-19-12)17-15-7-6-13(8-11-22)20-18(15)9-2-5-16(17)21-18/h4,12-13,15,19-22H,2-3,5-11H2,1H3/t12-,13?,15?,18?/m1/s1.
What are the key properties of 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol?
2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol has a molecular weight of 303.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,12-diazatricyclo[6.3.1.01,6]dodec-7-en-3-yl]ethanol is sourced from PubChem (CID 176569271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).