2,2,3,3-tetrabutyl-1-hydroxypiperidine

C21H43NO — CID 153405824

IUPAC2,2,3,3-tetrabutyl-1-hydroxypiperidine
SMILESCCCCC1(CCCC)CCCN(O)C1(CCCC)CCCC
InChIInChI=1S/C21H43NO/c1-5-9-14-20(15-10-6-2)16-13-19-22(23)21(20,17-11-7-3)18-12-8-4/h23H,5-19H2,1-4H3
InChIKeyBSPZMJBIQYPZOQ-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.96
Rot. Bonds12

About 2,2,3,3-tetrabutyl-1-hydroxypiperidine

2,2,3,3-tetrabutyl-1-hydroxypiperidine (PubChem CID 153405824) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 2,2,3,3-tetrabutyl-1-hydroxypiperidine.

Molecular Properties

Compound Name2,2,3,3-tetrabutyl-1-hydroxypiperidine
PubChem CID153405824
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name2,2,3,3-tetrabutyl-1-hydroxypiperidine
SMILESCCCCC1(CCCC)CCCN(O)C1(CCCC)CCCC
InChIInChI=1S/C21H43NO/c1-5-9-14-20(15-10-6-2)16-13-19-22(23)21(20,17-11-7-3)18-12-8-4/h23H,5-19H2,1-4H3
InChIKeyBSPZMJBIQYPZOQ-UHFFFAOYSA-N
XLogP6.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrabutyl-1-hydroxypiperidine?
The IUPAC name of 2,2,3,3-tetrabutyl-1-hydroxypiperidine (CID 153405824) is 2,2,3,3-tetrabutyl-1-hydroxypiperidine.
What is the SMILES notation for 2,2,3,3-tetrabutyl-1-hydroxypiperidine?
The canonical SMILES for 2,2,3,3-tetrabutyl-1-hydroxypiperidine is CCCCC1(CCCC)CCCN(O)C1(CCCC)CCCC.
What is the InChIKey of 2,2,3,3-tetrabutyl-1-hydroxypiperidine?
The InChIKey is BSPZMJBIQYPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-5-9-14-20(15-10-6-2)16-13-19-22(23)21(20,17-11-7-3)18-12-8-4/h23H,5-19H2,1-4H3.
What are the key properties of 2,2,3,3-tetrabutyl-1-hydroxypiperidine?
2,2,3,3-tetrabutyl-1-hydroxypiperidine has a molecular weight of 325.58 g/mol, XLogP of 6.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrabutyl-1-hydroxypiperidine is sourced from PubChem (CID 153405824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).