3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one

C15H31N3O — CID 81087569

IUPAC3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
SMILESCCC(CN)CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-4-14(12-16)11-15(19)18-9-7-17(8-10-18)6-5-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyRISZQHZYJYAROE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds7

About 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one

3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one (PubChem CID 81087569) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
PubChem CID81087569
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
SMILESCCC(CN)CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-4-14(12-16)11-15(19)18-9-7-17(8-10-18)6-5-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyRISZQHZYJYAROE-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
CID 55121642
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one (CID 81087569) is 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one is CCC(CN)CC(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The InChIKey is RISZQHZYJYAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14(12-16)11-15(19)18-9-7-17(8-10-18)6-5-13(2)3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 81087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).