cyclohexyl(piperidin-4-yl)methanone

C12H21NO — CID 5246602

IUPACcyclohexyl(piperidin-4-yl)methanone
SMILESO=C(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C12H21NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h10-11,13H,1-9H2
InChIKeyWVQPRPURSXXBDJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.14
Rot. Bonds2

About cyclohexyl(piperidin-4-yl)methanone

cyclohexyl(piperidin-4-yl)methanone (PubChem CID 5246602) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohexyl(piperidin-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(piperidin-4-yl)methanone
PubChem CID5246602
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohexyl(piperidin-4-yl)methanone
SMILESO=C(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C12H21NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h10-11,13H,1-9H2
InChIKeyWVQPRPURSXXBDJ-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexyl(piperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(piperidin-4-yl)methanone?
The IUPAC name of cyclohexyl(piperidin-4-yl)methanone (CID 5246602) is cyclohexyl(piperidin-4-yl)methanone.
What is the SMILES notation for cyclohexyl(piperidin-4-yl)methanone?
The canonical SMILES for cyclohexyl(piperidin-4-yl)methanone is O=C(C1CCCCC1)C1CCNCC1.
What is the InChIKey of cyclohexyl(piperidin-4-yl)methanone?
The InChIKey is WVQPRPURSXXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h10-11,13H,1-9H2.
What are the key properties of cyclohexyl(piperidin-4-yl)methanone?
cyclohexyl(piperidin-4-yl)methanone has a molecular weight of 195.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(piperidin-4-yl)methanone is sourced from PubChem (CID 5246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).