ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate

C11H19NO2 — CID 14334512

IUPACethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
SMILESC=C(C)C1CCCNC1C(=O)OCC
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)10-9(8(2)3)6-5-7-12-10/h9-10,12H,2,4-7H2,1,3H3
InChIKeyKPIPNTNFFZBNSK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.49
Rot. Bonds3

About ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate

ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate (PubChem CID 14334512) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
PubChem CID14334512
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
SMILESC=C(C)C1CCCNC1C(=O)OCC
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)10-9(8(2)3)6-5-7-12-10/h9-10,12H,2,4-7H2,1,3H3
InChIKeyKPIPNTNFFZBNSK-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen
CID 144506743
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
ethyl 3-aminoazepane-4-carboxylate
CID 155145528
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541

Frequently Asked Questions

What is the IUPAC name of ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate?
The IUPAC name of ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate (CID 14334512) is ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate is C=C(C)C1CCCNC1C(=O)OCC.
What is the InChIKey of ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate?
The InChIKey is KPIPNTNFFZBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)10-9(8(2)3)6-5-7-12-10/h9-10,12H,2,4-7H2,1,3H3.
What are the key properties of ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate?
ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 14334512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).