4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine

C16H22N2O — CID 15557565

IUPAC4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine
SMILESC1=C(N2CCOCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-2-4-15(5-3-1)14-17-8-6-16(7-9-17)18-10-12-19-13-11-18/h1-6H,7-14H2
InChIKeyZGPUQFKXNLBGDY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.11
Rot. Bonds3

About 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine

4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine (PubChem CID 15557565) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine.

Molecular Properties

Compound Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine
PubChem CID15557565
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine
SMILESC1=C(N2CCOCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-2-4-15(5-3-1)14-17-8-6-16(7-9-17)18-10-12-19-13-11-18/h1-6H,7-14H2
InChIKeyZGPUQFKXNLBGDY-UHFFFAOYSA-N
XLogP2.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine?
The IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine (CID 15557565) is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine.
What is the SMILES notation for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine?
The canonical SMILES for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine is C1=C(N2CCOCC2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine?
The InChIKey is ZGPUQFKXNLBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-15(5-3-1)14-17-8-6-16(7-9-17)18-10-12-19-13-11-18/h1-6H,7-14H2.
What are the key properties of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine?
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine has a molecular weight of 258.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)morpholine is sourced from PubChem (CID 15557565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).