4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate

C16H23N2O3- — CID 53439119

IUPAC4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)C1CC(Oc2cccc(N)c2)CCN1C(=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-16(2,3)14-10-13(7-8-18(14)15(19)20)21-12-6-4-5-11(17)9-12/h4-6,9,13-14H,7-8,10,17H2,1-3H3,(H,19,20)/p-1
InChIKeyXWXAYHNMDRHAQS-UHFFFAOYSA-M
MW291.37 g/mol
LogP1.87
Rot. Bonds2

About 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate

4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate (PubChem CID 53439119) has the molecular formula C16H23N2O3- and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate.

Molecular Properties

Compound Name4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate
PubChem CID53439119
Molecular FormulaC16H23N2O3-
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)C1CC(Oc2cccc(N)c2)CCN1C(=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-16(2,3)14-10-13(7-8-18(14)15(19)20)21-12-6-4-5-11(17)9-12/h4-6,9,13-14H,7-8,10,17H2,1-3H3,(H,19,20)/p-1
InChIKeyXWXAYHNMDRHAQS-UHFFFAOYSA-M
XLogP1.87
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.87
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-tert-butyl-4-(3-pyrrolidin-1-ylphenoxy)piperidine-1-carboxylic acid
CID 168515399
2-tert-butyl-4-(3,4-dichlorophenoxy)piperidine-1-carboxylic acid
CID 69159589
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
tert-butyl (2S,4R)-4-(3-aminophenoxy)-2-[(3-aminophenoxy)methyl]pyrrolidine-1-carboxylate
CID 90179003
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
(1-acetyl-2-tert-butylpiperidin-4-yl) carbamate
CID 142727662
(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662
2-(3-aminophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 133164884
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxy-2-tert-butylpiperidine-1-carboxylic acid
CID 68594973
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate?
The IUPAC name of 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate (CID 53439119) is 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate.
What is the SMILES notation for 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate?
The canonical SMILES for 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate is CC(C)(C)C1CC(Oc2cccc(N)c2)CCN1C(=O)[O-].
What is the InChIKey of 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate?
The InChIKey is XWXAYHNMDRHAQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)14-10-13(7-8-18(14)15(19)20)21-12-6-4-5-11(17)9-12/h4-6,9,13-14H,7-8,10,17H2,1-3H3,(H,19,20)/p-1.
What are the key properties of 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate?
4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-2-tert-butylpiperidine-1-carboxylate is sourced from PubChem (CID 53439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).