3,3,4-trimethyl-1-phenylpiperazin-2-one

C13H18N2O — CID 146646234

IUPAC3,3,4-trimethyl-1-phenylpiperazin-2-one
SMILESCN1CCN(c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-13(2)12(16)15(10-9-14(13)3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyJTXDALVSSGHNPM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.74
Rot. Bonds1

About 3,3,4-trimethyl-1-phenylpiperazin-2-one

3,3,4-trimethyl-1-phenylpiperazin-2-one (PubChem CID 146646234) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name3,3,4-trimethyl-1-phenylpiperazin-2-one
PubChem CID146646234
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3,3,4-trimethyl-1-phenylpiperazin-2-one
SMILESCN1CCN(c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-13(2)12(16)15(10-9-14(13)3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyJTXDALVSSGHNPM-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-phenylpiperazin-2-one?
The IUPAC name of 3,3,4-trimethyl-1-phenylpiperazin-2-one (CID 146646234) is 3,3,4-trimethyl-1-phenylpiperazin-2-one.
What is the SMILES notation for 3,3,4-trimethyl-1-phenylpiperazin-2-one?
The canonical SMILES for 3,3,4-trimethyl-1-phenylpiperazin-2-one is CN1CCN(c2ccccc2)C(=O)C1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-phenylpiperazin-2-one?
The InChIKey is JTXDALVSSGHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2)12(16)15(10-9-14(13)3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 3,3,4-trimethyl-1-phenylpiperazin-2-one?
3,3,4-trimethyl-1-phenylpiperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-phenylpiperazin-2-one is sourced from PubChem (CID 146646234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).