1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine

C17H28N2 — CID 122436156

IUPAC1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5/h6-9,14H,10-13H2,1-5H3
InChIKeyDBVKGLFLFFOFGC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds2

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

1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 122436156) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID122436156
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5/h6-9,14H,10-13H2,1-5H3
InChIKeyDBVKGLFLFFOFGC-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine (CID 122436156) is 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is DBVKGLFLFFOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-8-6-7-9-16(15)19-12-10-14(11-13-19)18(4)5/h6-9,14H,10-13H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 122436156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).