2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate

C11H19NO3 — CID 149063981

IUPAC2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate
SMILESCO/C=C\C(=O)OCCN1CCCCC1
InChIInChI=1S/C11H19NO3/c1-14-9-5-11(13)15-10-8-12-6-3-2-4-7-12/h5,9H,2-4,6-8,10H2,1H3/b9-5-
InChIKeyQMJVDUABRVUJHP-UITAMQMPSA-N
MW213.28 g/mol
LogP1.18
Rot. Bonds5

About 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate

2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate (PubChem CID 149063981) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate
PubChem CID149063981
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate
SMILESCO/C=C\C(=O)OCCN1CCCCC1
InChIInChI=1S/C11H19NO3/c1-14-9-5-11(13)15-10-8-12-6-3-2-4-7-12/h5,9H,2-4,6-8,10H2,1H3/b9-5-
InChIKeyQMJVDUABRVUJHP-UITAMQMPSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515
but-2-enedioic acid;1-(2-methoxyethyl)pyrrolidine
CID 71419746
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
4-O-[2-(diethylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-(2-pyrrolidin-1-ylethyl) (E)-but-2-enedioate
CID 161451538
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123921110
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 85471584
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
4-O-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 134570192
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate
CID 6283253

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate?
The IUPAC name of 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate (CID 149063981) is 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate.
What is the SMILES notation for 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate?
The canonical SMILES for 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate is CO/C=C\C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate?
The InChIKey is QMJVDUABRVUJHP-UITAMQMPSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-9-5-11(13)15-10-8-12-6-3-2-4-7-12/h5,9H,2-4,6-8,10H2,1H3/b9-5-.
What are the key properties of 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate?
2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate is sourced from PubChem (CID 149063981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).