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

C12H25NO — CID 58405005

IUPAC3-methoxy-1,3-di(propan-2-yl)piperidine
SMILESCOC1(C(C)C)CCCN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)12(14-5)7-6-8-13(9-12)11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNXLUBOMUYLJTAR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds3

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

3-methoxy-1,3-di(propan-2-yl)piperidine (PubChem CID 58405005) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methoxy-1,3-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-methoxy-1,3-di(propan-2-yl)piperidine
PubChem CID58405005
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methoxy-1,3-di(propan-2-yl)piperidine
SMILESCOC1(C(C)C)CCCN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)12(14-5)7-6-8-13(9-12)11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNXLUBOMUYLJTAR-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,3-di(propan-2-yl)piperidine?
The IUPAC name of 3-methoxy-1,3-di(propan-2-yl)piperidine (CID 58405005) is 3-methoxy-1,3-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-methoxy-1,3-di(propan-2-yl)piperidine?
The canonical SMILES for 3-methoxy-1,3-di(propan-2-yl)piperidine is COC1(C(C)C)CCCN(C(C)C)C1.
What is the InChIKey of 3-methoxy-1,3-di(propan-2-yl)piperidine?
The InChIKey is NXLUBOMUYLJTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)12(14-5)7-6-8-13(9-12)11(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-1,3-di(propan-2-yl)piperidine?
3-methoxy-1,3-di(propan-2-yl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-di(propan-2-yl)piperidine is sourced from PubChem (CID 58405005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).