1-(4-cyclohexylpiperidin-4-yl)ethanone

C13H23NO — CID 23388553

IUPAC1-(4-cyclohexylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C13H23NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3
InChIKeyRXEPCAJMRRKQEY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.53
Rot. Bonds2

About 1-(4-cyclohexylpiperidin-4-yl)ethanone

1-(4-cyclohexylpiperidin-4-yl)ethanone (PubChem CID 23388553) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperidin-4-yl)ethanone
PubChem CID23388553
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(4-cyclohexylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C13H23NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3
InChIKeyRXEPCAJMRRKQEY-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)ethanone (CID 23388553) is 1-(4-cyclohexylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperidin-4-yl)ethanone is CC(=O)C1(C2CCCCC2)CCNCC1.
What is the InChIKey of 1-(4-cyclohexylpiperidin-4-yl)ethanone?
The InChIKey is RXEPCAJMRRKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperidin-4-yl)ethanone?
1-(4-cyclohexylpiperidin-4-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperidin-4-yl)ethanone is sourced from PubChem (CID 23388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).