5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one

C13H27N3O — CID 82851488

IUPAC5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-11(14)6-5-7-12(17)16-9-8-15(4)13(2,3)10-16/h11H,5-10,14H2,1-4H3
InChIKeyGFUCUAMOHVUDFD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds4

About 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one

5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one (PubChem CID 82851488) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
PubChem CID82851488
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-11(14)6-5-7-12(17)16-9-8-15(4)13(2,3)10-16/h11H,5-10,14H2,1-4H3
InChIKeyGFUCUAMOHVUDFD-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 55215249
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 79013019
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
CID 120565406
2-[1-(aminomethyl)cyclobutyl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 81168595

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one (CID 82851488) is 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one is CC(N)CCCC(=O)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one?
The InChIKey is GFUCUAMOHVUDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(14)6-5-7-12(17)16-9-8-15(4)13(2,3)10-16/h11H,5-10,14H2,1-4H3.
What are the key properties of 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one?
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one has a molecular weight of 241.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 82851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).