1-(4-hydroxybutyl)piperidin-2-one

C9H17NO2 — CID 43509858

IUPAC1-(4-hydroxybutyl)piperidin-2-one
SMILESO=C1CCCCN1CCCCO
InChIInChI=1S/C9H17NO2/c11-8-4-3-7-10-6-2-1-5-9(10)12/h11H,1-8H2
InChIKeyKETRJCPQMNZMJA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds4

About 1-(4-hydroxybutyl)piperidin-2-one

1-(4-hydroxybutyl)piperidin-2-one (PubChem CID 43509858) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxybutyl)piperidin-2-one
PubChem CID43509858
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-hydroxybutyl)piperidin-2-one
SMILESO=C1CCCCN1CCCCO
InChIInChI=1S/C9H17NO2/c11-8-4-3-7-10-6-2-1-5-9(10)12/h11H,1-8H2
InChIKeyKETRJCPQMNZMJA-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
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 1-(4-hydroxybutyl)piperidin-2-one?
The IUPAC name of 1-(4-hydroxybutyl)piperidin-2-one (CID 43509858) is 1-(4-hydroxybutyl)piperidin-2-one.
What is the SMILES notation for 1-(4-hydroxybutyl)piperidin-2-one?
The canonical SMILES for 1-(4-hydroxybutyl)piperidin-2-one is O=C1CCCCN1CCCCO.
What is the InChIKey of 1-(4-hydroxybutyl)piperidin-2-one?
The InChIKey is KETRJCPQMNZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-8-4-3-7-10-6-2-1-5-9(10)12/h11H,1-8H2.
What are the key properties of 1-(4-hydroxybutyl)piperidin-2-one?
1-(4-hydroxybutyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)piperidin-2-one is sourced from PubChem (CID 43509858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).