5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one

C15H26N2O — CID 53466886

IUPAC5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCCCC2)C1
InChIInChI=1S/C15H26N2O/c1-15(2)11-13(10-14(18)12-15)16-6-9-17-7-4-3-5-8-17/h10,16H,3-9,11-12H2,1-2H3
InChIKeyYYHXBXKLDAMTAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds4

About 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one (PubChem CID 53466886) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one
PubChem CID53466886
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCCCC2)C1
InChIInChI=1S/C15H26N2O/c1-15(2)11-13(10-14(18)12-15)16-6-9-17-7-4-3-5-8-17/h10,16H,3-9,11-12H2,1-2H3
InChIKeyYYHXBXKLDAMTAO-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one (CID 53466886) is 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NCCN2CCCCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one?
The InChIKey is YYHXBXKLDAMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2)11-13(10-14(18)12-15)16-6-9-17-7-4-3-5-8-17/h10,16H,3-9,11-12H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-piperidin-1-ylethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 53466886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).