4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline

C18H29N3O — CID 164897596

IUPAC4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline
SMILESNc1ccc(N2CCC(CCOC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3O/c19-16-1-3-17(4-2-16)21-12-7-15(8-13-21)9-14-22-18-5-10-20-11-6-18/h1-4,15,18,20H,5-14,19H2
InChIKeyWUZICPAGXUCIGJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.64
Rot. Bonds5

About 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline

4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline (PubChem CID 164897596) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline
PubChem CID164897596
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline
SMILESNc1ccc(N2CCC(CCOC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3O/c19-16-1-3-17(4-2-16)21-12-7-15(8-13-21)9-14-22-18-5-10-20-11-6-18/h1-4,15,18,20H,5-14,19H2
InChIKeyWUZICPAGXUCIGJ-UHFFFAOYSA-N
XLogP2.64
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate
CID 150487503
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
4-[2-(4-ethylcyclohexyl)ethoxy]piperidine
CID 176984075
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
pyrrolidine;4-pyrrolidin-1-ylaniline
CID 70136555
2-[4-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]phenoxy]acetic acid;hydrochloride
CID 19602881
4-N-[3-[1-(4-aminophenyl)piperidin-4-yl]propyl]-4-N-methylbenzene-1,4-diamine;ethane
CID 144968745
2-[1-(4-aminophenyl)pyrrolidin-3-yl]oxyethyl-dimethylazanium chloride
CID 89105713
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
3-[4-(2-cyclohexyloxyethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68611410
(3R)-3-(2-cyclopropylethoxy)pyrrolidine
CID 97000060
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline?
The IUPAC name of 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline (CID 164897596) is 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline?
The canonical SMILES for 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline is Nc1ccc(N2CCC(CCOC3CCNCC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline?
The InChIKey is WUZICPAGXUCIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c19-16-1-3-17(4-2-16)21-12-7-15(8-13-21)9-14-22-18-5-10-20-11-6-18/h1-4,15,18,20H,5-14,19H2.
What are the key properties of 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline?
4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline has a molecular weight of 303.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 164897596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).