1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one

C19H28N2O — CID 90566675

IUPAC1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-19(2,3)13-18(22)21-12-11-20(16-9-10-16)14-17(21)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3
InChIKeyMWZVXCYABXVAEI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one

1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 90566675) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID90566675
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-19(2,3)13-18(22)21-12-11-20(16-9-10-16)14-17(21)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3
InChIKeyMWZVXCYABXVAEI-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one (CID 90566675) is 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is MWZVXCYABXVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(2,3)13-18(22)21-12-11-20(16-9-10-16)14-17(21)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3.
What are the key properties of 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one?
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 90566675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).