1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol

C17H27NO — CID 117020854

IUPAC1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
SMILESCC(C)(C)c1ccccc1N1CC(O)CCC1(C)C
InChIInChI=1S/C17H27NO/c1-16(2,3)14-8-6-7-9-15(14)18-12-13(19)10-11-17(18,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyCROWTZGDBOTEEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds1

About 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol

1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol (PubChem CID 117020854) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
PubChem CID117020854
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
SMILESCC(C)(C)c1ccccc1N1CC(O)CCC1(C)C
InChIInChI=1S/C17H27NO/c1-16(2,3)14-8-6-7-9-15(14)18-12-13(19)10-11-17(18,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyCROWTZGDBOTEEF-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770
1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
CID 117013913
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019215
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
CID 134316893
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
CID 115276188
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol (CID 117020854) is 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol is CC(C)(C)c1ccccc1N1CC(O)CCC1(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol?
The InChIKey is CROWTZGDBOTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)14-8-6-7-9-15(14)18-12-13(19)10-11-17(18,4)5/h6-9,13,19H,10-12H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol?
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol has a molecular weight of 261.41 g/mol, XLogP of 3.72, 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)-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 117020854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).