4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline

C16H19N3O — CID 788565

IUPAC4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(N3CCOCC3)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-16(19-9-11-20-12-10-19)4-2-15(1)18-13-14-5-7-17-8-6-14/h1-8,18H,9-13H2
InChIKeyYGHPMOCMMSDMAZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.53
Rot. Bonds4

About 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline

4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 788565) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
PubChem CID788565
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(N3CCOCC3)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-16(19-9-11-20-12-10-19)4-2-15(1)18-13-14-5-7-17-8-6-14/h1-8,18H,9-13H2
InChIKeyYGHPMOCMMSDMAZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline (CID 788565) is 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline is c1cc(CNc2ccc(N3CCOCC3)cc2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is YGHPMOCMMSDMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-16(19-9-11-20-12-10-19)4-2-15(1)18-13-14-5-7-17-8-6-14/h1-8,18H,9-13H2.
What are the key properties of 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline?
4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 269.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 788565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).