methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate

C11H19NO2 — CID 117266148

IUPACmethyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
SMILESCOC(=O)/C=C\CC1CCN(C)CC1
InChIInChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-3-5-11(13)14-2/h3,5,10H,4,6-9H2,1-2H3/b5-3-
InChIKeyGWCFWYVIOGGWPF-HYXAFXHYSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds3

About methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate

methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate (PubChem CID 117266148) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
PubChem CID117266148
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
SMILESCOC(=O)/C=C\CC1CCN(C)CC1
InChIInChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-3-5-11(13)14-2/h3,5,10H,4,6-9H2,1-2H3/b5-3-
InChIKeyGWCFWYVIOGGWPF-HYXAFXHYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-2-enoate
CID 117266138
methyl (E)-3-[2-(1-methylpiperidin-4-yl)ethylamino]prop-2-enoate
CID 103266972
methyl (E)-3-[(1-methylpyrrolidin-3-yl)methylamino]prop-2-enoate
CID 103239678
(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
CID 117267490
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
ethyl (E)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]but-2-enoate
CID 80549712
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
CID 117266160

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate?
The IUPAC name of methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate (CID 117266148) is methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate.
What is the SMILES notation for methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate?
The canonical SMILES for methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate is COC(=O)/C=C\CC1CCN(C)CC1.
What is the InChIKey of methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate?
The InChIKey is GWCFWYVIOGGWPF-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-8-6-10(7-9-12)4-3-5-11(13)14-2/h3,5,10H,4,6-9H2,1-2H3/b5-3-.
What are the key properties of methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate?
methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate is sourced from PubChem (CID 117266148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).