[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone

C14H27N3O2 — CID 112622398

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CCCC(C)C2)C(CN)C1
InChIInChI=1S/C14H27N3O2/c1-11-4-3-6-16(10-11)14(18)17-7-5-13(19-2)8-12(17)9-15/h11-13H,3-10,15H2,1-2H3
InChIKeyOOJSYJHGUYLSNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.28
Rot. Bonds2

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 112622398) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID112622398
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CCCC(C)C2)C(CN)C1
InChIInChI=1S/C14H27N3O2/c1-11-4-3-6-16(10-11)14(18)17-7-5-13(19-2)8-12(17)9-15/h11-13H,3-10,15H2,1-2H3
InChIKeyOOJSYJHGUYLSNF-UHFFFAOYSA-N
XLogP1.28
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 112622398) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone is COC1CCN(C(=O)N2CCCC(C)C2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OOJSYJHGUYLSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-4-3-6-16(10-11)14(18)17-7-5-13(19-2)8-12(17)9-15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 269.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112622398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).