prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate

C12H21NO2 — CID 54057799

IUPACprop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
SMILESC=CCOC(=O)CCC1CCN(C)CC1
InChIInChI=1S/C12H21NO2/c1-3-10-15-12(14)5-4-11-6-8-13(2)9-7-11/h3,11H,1,4-10H2,2H3
InChIKeyLXMOHBKGTJLEMK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds5

About prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate

prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate (PubChem CID 54057799) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
PubChem CID54057799
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameprop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
SMILESC=CCOC(=O)CCC1CCN(C)CC1
InChIInChI=1S/C12H21NO2/c1-3-10-15-12(14)5-4-11-6-8-13(2)9-7-11/h3,11H,1,4-10H2,2H3
InChIKeyLXMOHBKGTJLEMK-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014
ethyl 4-(1-methylpiperidin-4-yl)butanoate;4-(1-methylpiperidin-4-yl)butan-1-ol
CID 160933937
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate
CID 174974194
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate?
The IUPAC name of prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate (CID 54057799) is prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate.
What is the SMILES notation for prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate?
The canonical SMILES for prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate is C=CCOC(=O)CCC1CCN(C)CC1.
What is the InChIKey of prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate?
The InChIKey is LXMOHBKGTJLEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-10-15-12(14)5-4-11-6-8-13(2)9-7-11/h3,11H,1,4-10H2,2H3.
What are the key properties of prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate?
prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate has a molecular weight of 211.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate is sourced from PubChem (CID 54057799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).