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

C17H21N3O — CID 961221

IUPAC4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(CN3CCOCC3)cc2)ccn1
InChIInChI=1S/C17H21N3O/c1-3-17(19-13-15-5-7-18-8-6-15)4-2-16(1)14-20-9-11-21-12-10-20/h1-8,19H,9-14H2
InChIKeyWBHUPLIUBYMWIO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.53
Rot. Bonds5

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

4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 961221) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID961221
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(CN3CCOCC3)cc2)ccn1
InChIInChI=1S/C17H21N3O/c1-3-17(19-13-15-5-7-18-8-6-15)4-2-16(1)14-20-9-11-21-12-10-20/h1-8,19H,9-14H2
InChIKeyWBHUPLIUBYMWIO-UHFFFAOYSA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470
N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 66119111
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 110452175
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 97434773
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline (CID 961221) is 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline is c1cc(CNc2ccc(CN3CCOCC3)cc2)ccn1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is WBHUPLIUBYMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-17(19-13-15-5-7-18-8-6-15)4-2-16(1)14-20-9-11-21-12-10-20/h1-8,19H,9-14H2.
What are the key properties of 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline?
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 283.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 961221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).