2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one

C16H24N2O — CID 82246038

IUPAC2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18-11-10-17-12-15(18)14-8-6-5-7-9-14/h5-9,13,15,17H,3-4,10-12H2,1-2H3
InChIKeyMRBUHXWZDGWBMP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one

2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one (PubChem CID 82246038) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
PubChem CID82246038
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18-11-10-17-12-15(18)14-8-6-5-7-9-14/h5-9,13,15,17H,3-4,10-12H2,1-2H3
InChIKeyMRBUHXWZDGWBMP-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
(2R)-2-amino-1-[(2S)-2-phenylpiperazin-1-yl]-3-sulfanylpropan-1-one
CID 142251607
2,2-dimethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 121446464
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one (CID 82246038) is 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCNCC1c1ccccc1.
What is the InChIKey of 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one?
The InChIKey is MRBUHXWZDGWBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18-11-10-17-12-15(18)14-8-6-5-7-9-14/h5-9,13,15,17H,3-4,10-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one?
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 82246038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).