4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline

C17H27N3O — CID 137374606

IUPAC4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
SMILESNc1ccc(CCN2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C17H27N3O/c18-16-5-4-15(6-9-19-10-12-21-13-11-19)14-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,6-13,18H2
InChIKeyYIHSTIPBOHNBJV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline

4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline (PubChem CID 137374606) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
PubChem CID137374606
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
SMILESNc1ccc(CCN2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C17H27N3O/c18-16-5-4-15(6-9-19-10-12-21-13-11-19)14-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,6-13,18H2
InChIKeyYIHSTIPBOHNBJV-UHFFFAOYSA-N
XLogP2.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide
CID 89133892
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethanamine;dihydrochloride
CID 12805085
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline (CID 137374606) is 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline is Nc1ccc(CCN2CCOCC2)cc1N1CCCCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline?
The InChIKey is YIHSTIPBOHNBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16-5-4-15(6-9-19-10-12-21-13-11-19)14-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,6-13,18H2.
What are the key properties of 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline?
4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline has a molecular weight of 289.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 137374606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).