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

C11H22N2O2 — CID 82702018

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-11(14)13-7-4-10(5-8-13)15-9-6-12/h10H,2-9,12H2,1H3
InChIKeyDBJUBHIEQJCZID-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

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

1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one (PubChem CID 82702018) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
PubChem CID82702018
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-11(14)13-7-4-10(5-8-13)15-9-6-12/h10H,2-9,12H2,1H3
InChIKeyDBJUBHIEQJCZID-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701727
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-[2-(1-butanoylpiperidin-4-yl)oxyethylamino]-3-methylbutan-2-one
CID 176580665
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one (CID 82702018) is 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one?
The InChIKey is DBJUBHIEQJCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-11(14)13-7-4-10(5-8-13)15-9-6-12/h10H,2-9,12H2,1H3.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 82702018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).