2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one

C14H25NO2 — CID 62616856

IUPAC2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCCCC1CCO
InChIInChI=1S/C14H25NO2/c16-10-8-13-6-3-4-9-15(13)11-12-5-1-2-7-14(12)17/h12-13,16H,1-11H2
InChIKeyKKUICOHFYIURLE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.98
Rot. Bonds4

About 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one

2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one (PubChem CID 62616856) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
PubChem CID62616856
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCCCC1CCO
InChIInChI=1S/C14H25NO2/c16-10-8-13-6-3-4-9-15(13)11-12-5-1-2-7-14(12)17/h12-13,16H,1-11H2
InChIKeyKKUICOHFYIURLE-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one (CID 62616856) is 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one is O=C1CCCCC1CN1CCCCC1CCO.
What is the InChIKey of 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is KKUICOHFYIURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-10-8-13-6-3-4-9-15(13)11-12-5-1-2-7-14(12)17/h12-13,16H,1-11H2.
What are the key properties of 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 62616856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).