4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline

C19H25N3O — CID 22363113

IUPAC4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
SMILESNc1ccc(CCN2CCCC(Oc3ccc(N)cc3)C2)cc1
InChIInChI=1S/C19H25N3O/c20-16-5-3-15(4-6-16)11-13-22-12-1-2-19(14-22)23-18-9-7-17(21)8-10-18/h3-10,19H,1-2,11-14,20-21H2
InChIKeyFROVWALQRYQORI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline

4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline (PubChem CID 22363113) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
PubChem CID22363113
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
SMILESNc1ccc(CCN2CCCC(Oc3ccc(N)cc3)C2)cc1
InChIInChI=1S/C19H25N3O/c20-16-5-3-15(4-6-16)11-13-22-12-1-2-19(14-22)23-18-9-7-17(21)8-10-18/h3-10,19H,1-2,11-14,20-21H2
InChIKeyFROVWALQRYQORI-UHFFFAOYSA-N
XLogP2.94
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-ethylphenoxy)piperidine
CID 142830615
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
4-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]aniline
CID 113335546
3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
CID 117095267
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)piperidine
CID 54177431
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
6-[1-(3-phenylpropyl)piperidin-3-yl]oxyisoquinolin-1-amine
CID 68876174
(3S,5R)-1-[2-[4-(oxan-4-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 166834263
(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
CID 131846441
4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
CID 61440083
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline?
The IUPAC name of 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline (CID 22363113) is 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline.
What is the SMILES notation for 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline?
The canonical SMILES for 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline is Nc1ccc(CCN2CCCC(Oc3ccc(N)cc3)C2)cc1.
What is the InChIKey of 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline?
The InChIKey is FROVWALQRYQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-16-5-3-15(4-6-16)11-13-22-12-1-2-19(14-22)23-18-9-7-17(21)8-10-18/h3-10,19H,1-2,11-14,20-21H2.
What are the key properties of 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline?
4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline has a molecular weight of 311.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline is sourced from PubChem (CID 22363113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).