ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate

C14H26N2O3 — CID 103854566

IUPACethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
SMILESC=CCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-11-18-12-8-15-13-6-9-16(10-7-13)14(17)19-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeyVKWRHEDOUIGWSA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.79
Rot. Bonds8

About ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate

ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate (PubChem CID 103854566) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
PubChem CID103854566
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
SMILESC=CCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-11-18-12-8-15-13-6-9-16(10-7-13)14(17)19-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeyVKWRHEDOUIGWSA-UHFFFAOYSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-pent-4-enylcarbamate
CID 169971071
Ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate
CID 43231322
Ethyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate
CID 43387981
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
Ethyl 4-(1-ethoxypropan-2-ylamino)piperidine-1-carboxylate
CID 61822095
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
Ethyl 4-(but-3-enylamino)piperidine-1-carboxylate
CID 64315104
Ethyl 4-(pent-4-enylamino)piperidine-1-carboxylate
CID 64315105
Ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate
CID 75516635
Ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103080886
Tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
CID 103854342
1-[4-(2-But-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate (CID 103854566) is ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate is C=CCCOCCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The InChIKey is VKWRHEDOUIGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-11-18-12-8-15-13-6-9-16(10-7-13)14(17)19-4-2/h3,13,15H,1,4-12H2,2H3.
What are the key properties of ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 103854566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).