2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol

C12H23NO — CID 114631752

IUPAC2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol
SMILESCC1CCN(C2CC(O)C2(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9-4-6-13(7-5-9)10-8-11(14)12(10,2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyZSYBOJIECCITOY-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol

2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol (PubChem CID 114631752) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol
PubChem CID114631752
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol
SMILESCC1CCN(C2CC(O)C2(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9-4-6-13(7-5-9)10-8-11(14)12(10,2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyZSYBOJIECCITOY-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol (CID 114631752) is 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol is CC1CCN(C2CC(O)C2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol?
The InChIKey is ZSYBOJIECCITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-6-13(7-5-9)10-8-11(14)12(10,2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol?
2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 114631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).