1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone

C11H20N2O2 — CID 79285564

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c1-2-5-12-7-11(15)13-6-3-4-10(8-13)9-14/h2,10,12,14H,1,3-9H2
InChIKeyBKZSROSAZCQOLG-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.01
Rot. Bonds5

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone

1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone (PubChem CID 79285564) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
PubChem CID79285564
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c1-2-5-12-7-11(15)13-6-3-4-10(8-13)9-14/h2,10,12,14H,1,3-9H2
InChIKeyBKZSROSAZCQOLG-UHFFFAOYSA-N
XLogP-0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone (CID 79285564) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The InChIKey is BKZSROSAZCQOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-5-12-7-11(15)13-6-3-4-10(8-13)9-14/h2,10,12,14H,1,3-9H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 79285564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).