3,3-dimethyl-4-(2-methylpropoxy)piperidine

C11H23NO — CID 130533487

IUPAC3,3-dimethyl-4-(2-methylpropoxy)piperidine
SMILESCC(C)COC1CCNCC1(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-10-5-6-12-8-11(10,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyZGKNSFYOFZDYNY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds3

About 3,3-dimethyl-4-(2-methylpropoxy)piperidine

3,3-dimethyl-4-(2-methylpropoxy)piperidine (PubChem CID 130533487) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylpropoxy)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylpropoxy)piperidine
PubChem CID130533487
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,3-dimethyl-4-(2-methylpropoxy)piperidine
SMILESCC(C)COC1CCNCC1(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-10-5-6-12-8-11(10,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyZGKNSFYOFZDYNY-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylpropoxy)piperidine?
The IUPAC name of 3,3-dimethyl-4-(2-methylpropoxy)piperidine (CID 130533487) is 3,3-dimethyl-4-(2-methylpropoxy)piperidine.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylpropoxy)piperidine?
The canonical SMILES for 3,3-dimethyl-4-(2-methylpropoxy)piperidine is CC(C)COC1CCNCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-methylpropoxy)piperidine?
The InChIKey is ZGKNSFYOFZDYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-13-10-5-6-12-8-11(10,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(2-methylpropoxy)piperidine?
3,3-dimethyl-4-(2-methylpropoxy)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylpropoxy)piperidine is sourced from PubChem (CID 130533487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).