1-[4-(diethylamino)butyl]piperidin-4-one

C13H26N2O — CID 18001901

IUPAC1-[4-(diethylamino)butyl]piperidin-4-one
SMILESCCN(CC)CCCCN1CCC(=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)9-5-6-10-15-11-7-13(16)8-12-15/h3-12H2,1-2H3
InChIKeyNGNXBDIPVTUNDE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.77
Rot. Bonds7

About 1-[4-(diethylamino)butyl]piperidin-4-one

1-[4-(diethylamino)butyl]piperidin-4-one (PubChem CID 18001901) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]piperidin-4-one
PubChem CID18001901
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(diethylamino)butyl]piperidin-4-one
SMILESCCN(CC)CCCCN1CCC(=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)9-5-6-10-15-11-7-13(16)8-12-15/h3-12H2,1-2H3
InChIKeyNGNXBDIPVTUNDE-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 1-[4-(diethylamino)butyl]piperidin-4-one?
The IUPAC name of 1-[4-(diethylamino)butyl]piperidin-4-one (CID 18001901) is 1-[4-(diethylamino)butyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(diethylamino)butyl]piperidin-4-one?
The canonical SMILES for 1-[4-(diethylamino)butyl]piperidin-4-one is CCN(CC)CCCCN1CCC(=O)CC1.
What is the InChIKey of 1-[4-(diethylamino)butyl]piperidin-4-one?
The InChIKey is NGNXBDIPVTUNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14(4-2)9-5-6-10-15-11-7-13(16)8-12-15/h3-12H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)butyl]piperidin-4-one?
1-[4-(diethylamino)butyl]piperidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]piperidin-4-one is sourced from PubChem (CID 18001901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).