1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone

C11H20N2O2 — CID 119469700

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCCCC1CN
InChIInChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-6-4-3-5-10(13)8-12/h2,10H,1,3-9,12H2
InChIKeyQDAFRDCBZGCSRT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds5

About 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone

1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone (PubChem CID 119469700) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
PubChem CID119469700
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCCCC1CN
InChIInChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-6-4-3-5-10(13)8-12/h2,10H,1,3-9,12H2
InChIKeyQDAFRDCBZGCSRT-UHFFFAOYSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 119469675
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 113265479
1-[2-(aminomethyl)azepan-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103213013
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119469746
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 126791024
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone (CID 119469700) is 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone is C=CCOCC(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone?
The InChIKey is QDAFRDCBZGCSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-6-4-3-5-10(13)8-12/h2,10H,1,3-9,12H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone has a molecular weight of 212.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone is sourced from PubChem (CID 119469700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).