1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine

C12H26N2O — CID 103032453

IUPAC1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-4)7-10-14-8-5-11(13-3)6-9-14/h11,13H,5-10H2,1-4H3
InChIKeyHISBFUPCNYQAEM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine

1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine (PubChem CID 103032453) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine
PubChem CID103032453
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-4)7-10-14-8-5-11(13-3)6-9-14/h11,13H,5-10H2,1-4H3
InChIKeyHISBFUPCNYQAEM-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine (CID 103032453) is 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine is CNC1CCN(CCC(C)(C)OC)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine?
The InChIKey is HISBFUPCNYQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,15-4)7-10-14-8-5-11(13-3)6-9-14/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine?
1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 103032453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).