4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one

C13H26N2O3 — CID 54872251

IUPAC4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
SMILESCCOCCOC1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-2-17-10-11-18-12-5-8-15(9-6-12)13(16)4-3-7-14/h12H,2-11,14H2,1H3
InChIKeyDZMAWDLPTFYXRE-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds8

About 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one

4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one (PubChem CID 54872251) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
PubChem CID54872251
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
SMILESCCOCCOC1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-2-17-10-11-18-12-5-8-15(9-6-12)13(16)4-3-7-14/h12H,2-11,14H2,1H3
InChIKeyDZMAWDLPTFYXRE-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119662263
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one (CID 54872251) is 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one is CCOCCOC1CCN(C(=O)CCCN)CC1.
What is the InChIKey of 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one?
The InChIKey is DZMAWDLPTFYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-17-10-11-18-12-5-8-15(9-6-12)13(16)4-3-7-14/h12H,2-11,14H2,1H3.
What are the key properties of 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one?
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 54872251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).