4-methoxy-1,3-di(propan-2-yl)piperidine

C12H25NO — CID 58779014

IUPAC4-methoxy-1,3-di(propan-2-yl)piperidine
SMILESCOC1CCN(C(C)C)CC1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11-8-13(10(3)4)7-6-12(11)14-5/h9-12H,6-8H2,1-5H3
InChIKeyNOXQUEFUUWIANX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds3

About 4-methoxy-1,3-di(propan-2-yl)piperidine

4-methoxy-1,3-di(propan-2-yl)piperidine (PubChem CID 58779014) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methoxy-1,3-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-methoxy-1,3-di(propan-2-yl)piperidine
PubChem CID58779014
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methoxy-1,3-di(propan-2-yl)piperidine
SMILESCOC1CCN(C(C)C)CC1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11-8-13(10(3)4)7-6-12(11)14-5/h9-12H,6-8H2,1-5H3
InChIKeyNOXQUEFUUWIANX-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-di(propan-2-yl)piperidine?
The IUPAC name of 4-methoxy-1,3-di(propan-2-yl)piperidine (CID 58779014) is 4-methoxy-1,3-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-methoxy-1,3-di(propan-2-yl)piperidine?
The canonical SMILES for 4-methoxy-1,3-di(propan-2-yl)piperidine is COC1CCN(C(C)C)CC1C(C)C.
What is the InChIKey of 4-methoxy-1,3-di(propan-2-yl)piperidine?
The InChIKey is NOXQUEFUUWIANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11-8-13(10(3)4)7-6-12(11)14-5/h9-12H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-1,3-di(propan-2-yl)piperidine?
4-methoxy-1,3-di(propan-2-yl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-di(propan-2-yl)piperidine is sourced from PubChem (CID 58779014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).