1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine

C17H28N2 — CID 117019215

IUPAC1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CCCC(N)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)13-9-6-7-10-14(13)19-12-8-11-15(18)17(19,4)5/h6-7,9-10,15H,8,11-12,18H2,1-5H3
InChIKeyCYCNRNPCWSZFNI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.69
Rot. Bonds1

About 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine

1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine (PubChem CID 117019215) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
PubChem CID117019215
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CCCC(N)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)13-9-6-7-10-14(13)19-12-8-11-15(18)17(19,4)5/h6-7,9-10,15H,8,11-12,18H2,1-5H3
InChIKeyCYCNRNPCWSZFNI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019738
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
CID 117017057
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020854
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine
CID 117019255
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
CID 134316893
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019795
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine (CID 117019215) is 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine is CC(C)(C)c1ccccc1N1CCCC(N)C1(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine?
The InChIKey is CYCNRNPCWSZFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)13-9-6-7-10-14(13)19-12-8-11-15(18)17(19,4)5/h6-7,9-10,15H,8,11-12,18H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine?
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine is sourced from PubChem (CID 117019215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).