3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H25NO2 — CID 39959599

IUPAC3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C14H25NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h12-13,16H,1-11H2
InChIKeyQLTDZGFWDANSPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds3

About 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 39959599) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID39959599
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C14H25NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h12-13,16H,1-11H2
InChIKeyQLTDZGFWDANSPB-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 39959599) is 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCC(O)CC1.
What is the InChIKey of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is QLTDZGFWDANSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h12-13,16H,1-11H2.
What are the key properties of 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 39959599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).