4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one

C14H24N2O — CID 18320080

IUPAC4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one
SMILESCC(C1=CC(C)(C)CCC1=O)C1CNCCN1
InChIInChI=1S/C14H24N2O/c1-10(12-9-15-6-7-16-12)11-8-14(2,3)5-4-13(11)17/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyYWKKUMUAANLWKI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.50
Rot. Bonds2

About 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one

4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one (PubChem CID 18320080) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one
PubChem CID18320080
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one
SMILESCC(C1=CC(C)(C)CCC1=O)C1CNCCN1
InChIInChI=1S/C14H24N2O/c1-10(12-9-15-6-7-16-12)11-8-14(2,3)5-4-13(11)17/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyYWKKUMUAANLWKI-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one (CID 18320080) is 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one is CC(C1=CC(C)(C)CCC1=O)C1CNCCN1.
What is the InChIKey of 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one?
The InChIKey is YWKKUMUAANLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(12-9-15-6-7-16-12)11-8-14(2,3)5-4-13(11)17/h8,10,12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one?
4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-piperazin-2-ylethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 18320080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).