5-amino-1-dodecylpiperidin-2-one

C17H34N2O — CID 64977984

IUPAC5-amino-1-dodecylpiperidin-2-one
SMILESCCCCCCCCCCCCN1CC(N)CCC1=O
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17(19)20/h16H,2-15,18H2,1H3
InChIKeyKDTCURRCZBATQE-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.86
Rot. Bonds11

About 5-amino-1-dodecylpiperidin-2-one

5-amino-1-dodecylpiperidin-2-one (PubChem CID 64977984) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-amino-1-dodecylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-dodecylpiperidin-2-one
PubChem CID64977984
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-amino-1-dodecylpiperidin-2-one
SMILESCCCCCCCCCCCCN1CC(N)CCC1=O
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17(19)20/h16H,2-15,18H2,1H3
InChIKeyKDTCURRCZBATQE-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-amino-1-dodecylpiperidin-2-one?
The IUPAC name of 5-amino-1-dodecylpiperidin-2-one (CID 64977984) is 5-amino-1-dodecylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-dodecylpiperidin-2-one?
The canonical SMILES for 5-amino-1-dodecylpiperidin-2-one is CCCCCCCCCCCCN1CC(N)CCC1=O.
What is the InChIKey of 5-amino-1-dodecylpiperidin-2-one?
The InChIKey is KDTCURRCZBATQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17(19)20/h16H,2-15,18H2,1H3.
What are the key properties of 5-amino-1-dodecylpiperidin-2-one?
5-amino-1-dodecylpiperidin-2-one has a molecular weight of 282.47 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-dodecylpiperidin-2-one is sourced from PubChem (CID 64977984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).