1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone

C11H23N3O — CID 60894186

IUPAC1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCCN)CC1
InChIInChI=1S/C11H23N3O/c1-10(15)14-8-4-11(5-9-14)13-7-3-2-6-12/h11,13H,2-9,12H2,1H3
InChIKeyBEBXJFLWQBEMMU-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.33
Rot. Bonds5

About 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone

1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone (PubChem CID 60894186) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
PubChem CID60894186
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCCN)CC1
InChIInChI=1S/C11H23N3O/c1-10(15)14-8-4-11(5-9-14)13-7-3-2-6-12/h11,13H,2-9,12H2,1H3
InChIKeyBEBXJFLWQBEMMU-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
1-[4-[2-(diethylamino)ethylamino]piperidin-1-yl]ethanone
CID 43222555
4-(5-hydroxypentylamino)piperidine-1-carboxamide
CID 107302971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone (CID 60894186) is 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCCCN)CC1.
What is the InChIKey of 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone?
The InChIKey is BEBXJFLWQBEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(15)14-8-4-11(5-9-14)13-7-3-2-6-12/h11,13H,2-9,12H2,1H3.
What are the key properties of 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone?
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone has a molecular weight of 213.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 60894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).