1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine

C18H30N2 — CID 79397118

IUPAC1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C(C)(C)C)cc2)C(C)C1C
InChIInChI=1S/C18H30N2/c1-13-14(2)20(12-11-17(13)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,11-12H2,1-6H3
InChIKeyULYGMYWYNPHQOJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds2

About 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine

1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79397118) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79397118
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C(C)(C)C)cc2)C(C)C1C
InChIInChI=1S/C18H30N2/c1-13-14(2)20(12-11-17(13)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,11-12H2,1-6H3
InChIKeyULYGMYWYNPHQOJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine (CID 79397118) is 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(C(C)(C)C)cc2)C(C)C1C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is ULYGMYWYNPHQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-14(2)20(12-11-17(13)19-6)16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,11-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine?
1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79397118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).