2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol

C15H31NO — CID 23042262

IUPAC2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol
SMILESCC(C)(C)C(CO)(C1CCCCN1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)15(11-17,14(4,5)6)12-9-7-8-10-16-12/h12,16-17H,7-11H2,1-6H3
InChIKeyXSKURJXMZNJCOE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds2

About 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol

2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol (PubChem CID 23042262) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol
PubChem CID23042262
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol
SMILESCC(C)(C)C(CO)(C1CCCCN1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)15(11-17,14(4,5)6)12-9-7-8-10-16-12/h12,16-17H,7-11H2,1-6H3
InChIKeyXSKURJXMZNJCOE-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol?
The IUPAC name of 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol (CID 23042262) is 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol.
What is the SMILES notation for 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol?
The canonical SMILES for 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol is CC(C)(C)C(CO)(C1CCCCN1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol?
The InChIKey is XSKURJXMZNJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2,3)15(11-17,14(4,5)6)12-9-7-8-10-16-12/h12,16-17H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol?
2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethyl-2-piperidin-2-ylbutan-1-ol is sourced from PubChem (CID 23042262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).