6-hydroxy-1-piperidin-1-ylhexan-1-one

C11H21NO2 — CID 13088432

IUPAC6-hydroxy-1-piperidin-1-ylhexan-1-one
SMILESO=C(CCCCCO)N1CCCCC1
InChIInChI=1S/C11H21NO2/c13-10-6-1-3-7-11(14)12-8-4-2-5-9-12/h13H,1-10H2
InChIKeyYJLPLWVTRRXHKD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.55
Rot. Bonds5

About 6-hydroxy-1-piperidin-1-ylhexan-1-one

6-hydroxy-1-piperidin-1-ylhexan-1-one (PubChem CID 13088432) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-hydroxy-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name6-hydroxy-1-piperidin-1-ylhexan-1-one
PubChem CID13088432
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-hydroxy-1-piperidin-1-ylhexan-1-one
SMILESO=C(CCCCCO)N1CCCCC1
InChIInChI=1S/C11H21NO2/c13-10-6-1-3-7-11(14)12-8-4-2-5-9-12/h13H,1-10H2
InChIKeyYJLPLWVTRRXHKD-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.55
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 6-hydroxy-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 6-hydroxy-1-piperidin-1-ylhexan-1-one (CID 13088432) is 6-hydroxy-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 6-hydroxy-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 6-hydroxy-1-piperidin-1-ylhexan-1-one is O=C(CCCCCO)N1CCCCC1.
What is the InChIKey of 6-hydroxy-1-piperidin-1-ylhexan-1-one?
The InChIKey is YJLPLWVTRRXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-10-6-1-3-7-11(14)12-8-4-2-5-9-12/h13H,1-10H2.
What are the key properties of 6-hydroxy-1-piperidin-1-ylhexan-1-one?
6-hydroxy-1-piperidin-1-ylhexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 13088432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).