4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine

C15H18N2O — CID 22758263

IUPAC4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine
SMILESC1=C(c2ccncc2)CCC=C1N1CCOCC1
InChIInChI=1S/C15H18N2O/c1-2-14(13-4-6-16-7-5-13)12-15(3-1)17-8-10-18-11-9-17/h3-7,12H,1-2,8-11H2
InChIKeyFBKFDGPLLAIGOO-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.47
Rot. Bonds2

About 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine

4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 22758263) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine
PubChem CID22758263
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine
SMILESC1=C(c2ccncc2)CCC=C1N1CCOCC1
InChIInChI=1S/C15H18N2O/c1-2-14(13-4-6-16-7-5-13)12-15(3-1)17-8-10-18-11-9-17/h3-7,12H,1-2,8-11H2
InChIKeyFBKFDGPLLAIGOO-UHFFFAOYSA-N
XLogP2.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine (CID 22758263) is 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine is C1=C(c2ccncc2)CCC=C1N1CCOCC1.
What is the InChIKey of 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is FBKFDGPLLAIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-14(13-4-6-16-7-5-13)12-15(3-1)17-8-10-18-11-9-17/h3-7,12H,1-2,8-11H2.
What are the key properties of 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine?
4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 242.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 22758263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).