4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid

C18H28N2O2 — CID 67155204

IUPAC4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)c(C)cc1N
InChIInChI=1S/C18H28N2O2/c1-11-9-15(19)12(2)8-14(11)13-6-7-20(17(21)22)16(10-13)18(3,4)5/h8-9,13,16H,6-7,10,19H2,1-5H3,(H,21,22)
InChIKeyNCWOLHNLNSQEPV-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.16
Rot. Bonds1

About 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid

4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 67155204) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID67155204
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)c(C)cc1N
InChIInChI=1S/C18H28N2O2/c1-11-9-15(19)12(2)8-14(11)13-6-7-20(17(21)22)16(10-13)18(3,4)5/h8-9,13,16H,6-7,10,19H2,1-5H3,(H,21,22)
InChIKeyNCWOLHNLNSQEPV-UHFFFAOYSA-N
XLogP4.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid (CID 67155204) is 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid is Cc1cc(C2CCN(C(=O)O)C(C(C)(C)C)C2)c(C)cc1N.
What is the InChIKey of 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is NCWOLHNLNSQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11-9-15(19)12(2)8-14(11)13-6-7-20(17(21)22)16(10-13)18(3,4)5/h8-9,13,16H,6-7,10,19H2,1-5H3,(H,21,22).
What are the key properties of 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid?
4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dimethylphenyl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67155204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).