1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H24N2O2 — CID 144986405

IUPAC1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
InChIKeyZAXLRPKTVUWVBN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds2

About 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 144986405) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID144986405
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
InChIKeyZAXLRPKTVUWVBN-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
4-(1-methylpyrrolidin-3-yl)oxyaniline;2,2,2-trifluoroacetic acid
CID 86761110
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 144986405) is 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(Oc2ccc(N)cc2)CC1.
What is the InChIKey of 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZAXLRPKTVUWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3.
What are the key properties of 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 144986405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).