6-amino-2-methyl-1-piperazin-1-ylheptan-1-one

C12H25N3O — CID 65292866

IUPAC6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-10(4-3-5-11(2)13)12(16)15-8-6-14-7-9-15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQJBRPOBYJMORIG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one

6-amino-2-methyl-1-piperazin-1-ylheptan-1-one (PubChem CID 65292866) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
PubChem CID65292866
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-10(4-3-5-11(2)13)12(16)15-8-6-14-7-9-15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQJBRPOBYJMORIG-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
CID 114237000
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332
3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
CID 115348007
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one (CID 65292866) is 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one is CC(N)CCCC(C)C(=O)N1CCNCC1.
What is the InChIKey of 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one?
The InChIKey is QJBRPOBYJMORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(4-3-5-11(2)13)12(16)15-8-6-14-7-9-15/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one?
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-piperazin-1-ylheptan-1-one is sourced from PubChem (CID 65292866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).