1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone

C12H20N2O3 — CID 170636843

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone
SMILESC#CCOCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H20N2O3/c1-2-8-16-10-12(15)14-6-3-11(4-7-14)17-9-5-13/h1,11H,3-10,13H2
InChIKeyZIADJNGKMUTMPV-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.40
Rot. Bonds6

About 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone

1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone (PubChem CID 170636843) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone
PubChem CID170636843
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone
SMILESC#CCOCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H20N2O3/c1-2-8-16-10-12(15)14-6-3-11(4-7-14)17-9-5-13/h1,11H,3-10,13H2
InChIKeyZIADJNGKMUTMPV-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
CID 119664585
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701727
1-[2-(2-aminoethoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79474031
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 82701794
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone (CID 170636843) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone is C#CCOCC(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone?
The InChIKey is ZIADJNGKMUTMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-8-16-10-12(15)14-6-3-11(4-7-14)17-9-5-13/h1,11H,3-10,13H2.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone?
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone has a molecular weight of 240.30 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-prop-2-ynoxyethanone is sourced from PubChem (CID 170636843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).