4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid

C17H26N2O3 — CID 68668197

IUPAC4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCOc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-17(2,3)15-10-12(7-8-19(15)16(20)21)11-5-6-13(18)14(9-11)22-4/h5-6,9,12,15H,7-8,10,18H2,1-4H3,(H,20,21)
InChIKeyXAIOLNDQGCYHNP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.55
Rot. Bonds2

About 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid

4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 68668197) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID68668197
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCOc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-17(2,3)15-10-12(7-8-19(15)16(20)21)11-5-6-13(18)14(9-11)22-4/h5-6,9,12,15H,7-8,10,18H2,1-4H3,(H,20,21)
InChIKeyXAIOLNDQGCYHNP-UHFFFAOYSA-N
XLogP3.55
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopyrimidin-5-yl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172792193
1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
CID 59291060
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
2-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118464994
[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate
CID 175065117
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
CID 135211692
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-3-methoxyphenyl)methanone
CID 104782789
1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
CID 58980319
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid (CID 68668197) is 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid is COc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is XAIOLNDQGCYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)15-10-12(7-8-19(15)16(20)21)11-5-6-13(18)14(9-11)22-4/h5-6,9,12,15H,7-8,10,18H2,1-4H3,(H,20,21).
What are the key properties of 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68668197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).