2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

C16H24N2O — CID 60698388

IUPAC2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeySYTBNEOWJKCBDG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds1

About 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (PubChem CID 60698388) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
PubChem CID60698388
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeySYTBNEOWJKCBDG-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (CID 60698388) is 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)C)C(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is SYTBNEOWJKCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)15(19)18-11-10-17(4)12-14(18)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 60698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).