1-(4-amino-3-ethenylpiperidin-1-yl)ethanone

C9H16N2O — CID 135130767

IUPAC1-(4-amino-3-ethenylpiperidin-1-yl)ethanone
SMILESC=CC1CN(C(C)=O)CCC1N
InChIInChI=1S/C9H16N2O/c1-3-8-6-11(7(2)12)5-4-9(8)10/h3,8-9H,1,4-6,10H2,2H3
InChIKeyLBNFKMKOJHRWHK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.37
Rot. Bonds1

About 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone

1-(4-amino-3-ethenylpiperidin-1-yl)ethanone (PubChem CID 135130767) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-ethenylpiperidin-1-yl)ethanone
PubChem CID135130767
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(4-amino-3-ethenylpiperidin-1-yl)ethanone
SMILESC=CC1CN(C(C)=O)CCC1N
InChIInChI=1S/C9H16N2O/c1-3-8-6-11(7(2)12)5-4-9(8)10/h3,8-9H,1,4-6,10H2,2H3
InChIKeyLBNFKMKOJHRWHK-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone (CID 135130767) is 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone is C=CC1CN(C(C)=O)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone?
The InChIKey is LBNFKMKOJHRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8-6-11(7(2)12)5-4-9(8)10/h3,8-9H,1,4-6,10H2,2H3.
What are the key properties of 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone?
1-(4-amino-3-ethenylpiperidin-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 135130767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).