1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine

C17H28N2 — CID 117025265

IUPAC1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
SMILESCC(C)(C)c1ccc(N2CCC(C)(C)C(N)C2)cc1
InChIInChI=1S/C17H28N2/c1-16(2,3)13-6-8-14(9-7-13)19-11-10-17(4,5)15(18)12-19/h6-9,15H,10-12,18H2,1-5H3
InChIKeyCIQLEQKCQDDITE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.55
Rot. Bonds1

About 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine

1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine (PubChem CID 117025265) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
PubChem CID117025265
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
SMILESCC(C)(C)c1ccc(N2CCC(C)(C)C(N)C2)cc1
InChIInChI=1S/C17H28N2/c1-16(2,3)13-6-8-14(9-7-13)19-11-10-17(4,5)15(18)12-19/h6-9,15H,10-12,18H2,1-5H3
InChIKeyCIQLEQKCQDDITE-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.55
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)-4,4-dimethylpiperidin-3-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine (CID 117025265) is 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine is CC(C)(C)c1ccc(N2CCC(C)(C)C(N)C2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine?
The InChIKey is CIQLEQKCQDDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)13-6-8-14(9-7-13)19-11-10-17(4,5)15(18)12-19/h6-9,15H,10-12,18H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine?
1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine is sourced from PubChem (CID 117025265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).