6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one

C12H24N2O2 — CID 43373178

IUPAC6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one
SMILESCOC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-16-11-6-9-14(10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeyOBKUWSBCYXIJHD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds6

About 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one

6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one (PubChem CID 43373178) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one
PubChem CID43373178
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one
SMILESCOC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-16-11-6-9-14(10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeyOBKUWSBCYXIJHD-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one (CID 43373178) is 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one is COC1CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one?
The InChIKey is OBKUWSBCYXIJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-11-6-9-14(10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3.
What are the key properties of 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one?
6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methoxypiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 43373178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).