4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine

C18H24N2O — CID 676170

IUPAC4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCCC1)N=C2N1CCOCC1
InChIInChI=1S/C18H24N2O/c1-4-8-18(9-5-1)14-15-6-2-3-7-16(15)17(19-18)20-10-12-21-13-11-20/h2-3,6-7H,1,4-5,8-14H2
InChIKeyWOAIHYHDHGOIQN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.02
Rot. Bonds

About 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine

4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine (PubChem CID 676170) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine.

Molecular Properties

Compound Name4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine
PubChem CID676170
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCCC1)N=C2N1CCOCC1
InChIInChI=1S/C18H24N2O/c1-4-8-18(9-5-1)14-15-6-2-3-7-16(15)17(19-18)20-10-12-21-13-11-20/h2-3,6-7H,1,4-5,8-14H2
InChIKeyWOAIHYHDHGOIQN-UHFFFAOYSA-N
XLogP3.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine?
The IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine (CID 676170) is 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine.
What is the SMILES notation for 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine?
The canonical SMILES for 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine is c1ccc2c(c1)CC1(CCCCC1)N=C2N1CCOCC1.
What is the InChIKey of 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine?
The InChIKey is WOAIHYHDHGOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-8-18(9-5-1)14-15-6-2-3-7-16(15)17(19-18)20-10-12-21-13-11-20/h2-3,6-7H,1,4-5,8-14H2.
What are the key properties of 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine?
4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine has a molecular weight of 284.40 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylmorpholine is sourced from PubChem (CID 676170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).