ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate

C13H26N2O3 — CID 106451480

IUPACethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
SMILESCCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O3/c1-3-10-17-11-7-14-12-5-8-15(9-6-12)13(16)18-4-2/h12,14H,3-11H2,1-2H3
InChIKeyNPJQFMQTMORDDJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds7

About ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate

ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate (PubChem CID 106451480) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
PubChem CID106451480
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
SMILESCCCOCCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O3/c1-3-10-17-11-7-14-12-5-8-15(9-6-12)13(16)18-4-2/h12,14H,3-11H2,1-2H3
InChIKeyNPJQFMQTMORDDJ-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
CID 103235028
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
tert-butyl 4-(2-butoxyethylamino)azepane-1-carboxylate
CID 103981761
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate (CID 106451480) is ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate is CCCOCCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate?
The InChIKey is NPJQFMQTMORDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-10-17-11-7-14-12-5-8-15(9-6-12)13(16)18-4-2/h12,14H,3-11H2,1-2H3.
What are the key properties of ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate?
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 106451480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).