2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one

C15H27NO3 — CID 79553801

IUPAC2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCOCCO
InChIInChI=1S/C15H27NO3/c17-10-12-19-11-9-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18/h13-14,17H,1-12H2
InChIKeyBRJBNIWIICODJI-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.61
Rot. Bonds6

About 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553801) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79553801
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCOCCO
InChIInChI=1S/C15H27NO3/c17-10-12-19-11-9-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18/h13-14,17H,1-12H2
InChIKeyBRJBNIWIICODJI-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one (CID 79553801) is 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CCOCCO.
What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is BRJBNIWIICODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-10-12-19-11-9-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18/h13-14,17H,1-12H2.
What are the key properties of 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).