1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one

C13H26N2O2 — CID 114106030

IUPAC1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)N1C(C)CCCC1CN
InChIInChI=1S/C13H26N2O2/c1-5-13(3,17-4)12(16)15-10(2)7-6-8-11(15)9-14/h10-11H,5-9,14H2,1-4H3
InChIKeyUGXYWOHUSBMKSY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds4

About 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one

1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one (PubChem CID 114106030) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one
PubChem CID114106030
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)N1C(C)CCCC1CN
InChIInChI=1S/C13H26N2O2/c1-5-13(3,17-4)12(16)15-10(2)7-6-8-11(15)9-14/h10-11H,5-9,14H2,1-4H3
InChIKeyUGXYWOHUSBMKSY-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one (CID 114106030) is 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one is CCC(C)(OC)C(=O)N1C(C)CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one?
The InChIKey is UGXYWOHUSBMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(3,17-4)12(16)15-10(2)7-6-8-11(15)9-14/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one?
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 114106030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).