1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one

C15H31N3O — CID 65449474

IUPAC1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-15(19)18-13-11-17(10-9-16)12-14-18/h2-14,16H2,1H3
InChIKeyMUXGXSFZZXHSTP-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds9

About 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one

1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one (PubChem CID 65449474) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
PubChem CID65449474
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-15(19)18-13-11-17(10-9-16)12-14-18/h2-14,16H2,1H3
InChIKeyMUXGXSFZZXHSTP-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]pentan-1-one
CID 43251686
1-[4-(5-aminopentyl)-1,4-diazepan-1-yl]hexan-1-one
CID 43252098
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one?
The IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one (CID 65449474) is 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one?
The canonical SMILES for 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCN(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one?
The InChIKey is MUXGXSFZZXHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-15(19)18-13-11-17(10-9-16)12-14-18/h2-14,16H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one?
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one is sourced from PubChem (CID 65449474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).