4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one

C15H27NO2 — CID 43391795

IUPAC4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C15H27NO2/c17-14-9-11-16(12-10-14)15(18)8-4-7-13-5-2-1-3-6-13/h13-14,17H,1-12H2
InChIKeyBZRFKEFQFUGCFK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds4

About 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one

4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 43391795) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID43391795
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C15H27NO2/c17-14-9-11-16(12-10-14)15(18)8-4-7-13-5-2-1-3-6-13/h13-14,17H,1-12H2
InChIKeyBZRFKEFQFUGCFK-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one (CID 43391795) is 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one is O=C(CCCC1CCCCC1)N1CCC(O)CC1.
What is the InChIKey of 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is BZRFKEFQFUGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-14-9-11-16(12-10-14)15(18)8-4-7-13-5-2-1-3-6-13/h13-14,17H,1-12H2.
What are the key properties of 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one?
4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 43391795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).