1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one

C12H24N2O — CID 123677366

IUPAC1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one
SMILESCCC(=O)C1CN(CCC(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-4-12(15)11-9-14(8-6-13-11)7-5-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNMZQNCMFCWXMKB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.29
Rot. Bonds5

About 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one

1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one (PubChem CID 123677366) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one
PubChem CID123677366
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one
SMILESCCC(=O)C1CN(CCC(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-4-12(15)11-9-14(8-6-13-11)7-5-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNMZQNCMFCWXMKB-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
3-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
(2R)-4-(2-methylsulfanylethyl)piperazine-2-carboxylic acid
CID 170266617
4-(2-phosphonoethyl)piperazine-2-carboxylic acid
CID 13491860
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propanoic acid
CID 104977275
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
(2R)-N,4-diethylpiperazine-2-carboxamide
CID 129406031
N,4-diethylpiperazine-2-carboxamide
CID 53431411
tert-butyl 4-pentylpiperazine-2-carboxylate
CID 175344444
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
4-[3-[hydroxy(methyl)phosphoryl]propyl]piperazine-2-carboxylic acid
CID 14751359
1-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 91916307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one?
The IUPAC name of 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one (CID 123677366) is 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one is CCC(=O)C1CN(CCC(C)C)CCN1.
What is the InChIKey of 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one?
The InChIKey is NMZQNCMFCWXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(15)11-9-14(8-6-13-11)7-5-10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one?
1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one is sourced from PubChem (CID 123677366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).