1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one

C10H20N2O — CID 4069425

IUPAC1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-4-11-5-7-12(8-6-11)10(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyISKJMLDSTMHQTH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds2

About 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one

1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one (PubChem CID 4069425) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
PubChem CID4069425
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-4-11-5-7-12(8-6-11)10(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyISKJMLDSTMHQTH-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 7986281
2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 5149334
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
1-(azepan-1-yl)-2-methylpropan-1-one;1-(azetidin-1-yl)-2-methylpropan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one;tris(2-methyl-1-piperidin-1-ylpropan-1-one);2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 160929115
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-(4-ethylpiperazin-1-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropan-1-one
CID 111463890

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one (CID 4069425) is 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one is CCN1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one?
The InChIKey is ISKJMLDSTMHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-11-5-7-12(8-6-11)10(13)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 4069425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).