4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine

C17H24N2O — CID 146199811

IUPAC4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
SMILESC[C@H]1C2CCN(C)C1c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C17H24N2O/c1-12-14-5-6-18(2)17(12)16-11-13(3-4-15(14)16)19-7-9-20-10-8-19/h3-4,11-12,14,17H,5-10H2,1-2H3/t12-,14?,17?/m0/s1
InChIKeyOVCXHXFFBZJDQT-MKQDKFQKSA-N
MW272.39 g/mol
LogP2.63
Rot. Bonds1

About 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine

4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine (PubChem CID 146199811) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine.

Molecular Properties

Compound Name4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
PubChem CID146199811
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
SMILESC[C@H]1C2CCN(C)C1c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C17H24N2O/c1-12-14-5-6-18(2)17(12)16-11-13(3-4-15(14)16)19-7-9-20-10-8-19/h3-4,11-12,14,17H,5-10H2,1-2H3/t12-,14?,17?/m0/s1
InChIKeyOVCXHXFFBZJDQT-MKQDKFQKSA-N
XLogP2.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The IUPAC name of 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine (CID 146199811) is 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine.
What is the SMILES notation for 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The canonical SMILES for 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine is C[C@H]1C2CCN(C)C1c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The InChIKey is OVCXHXFFBZJDQT-MKQDKFQKSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-14-5-6-18(2)17(12)16-11-13(3-4-15(14)16)19-7-9-20-10-8-19/h3-4,11-12,14,17H,5-10H2,1-2H3/t12-,14?,17?/m0/s1.
What are the key properties of 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine has a molecular weight of 272.39 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(12S)-9,12-dimethyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine is sourced from PubChem (CID 146199811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).