ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate

C15H30N2O3 — CID 61483914

IUPACethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOCCC(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-4-20-15(18)17-9-5-14(6-10-17)16-8-12-19-11-7-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyAGSYUXYMCREJLI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.26
Rot. Bonds8

About ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate (PubChem CID 61483914) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
PubChem CID61483914
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOCCC(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-4-20-15(18)17-9-5-14(6-10-17)16-8-12-19-11-7-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyAGSYUXYMCREJLI-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.26
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-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
CID 103235028
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate (CID 61483914) is ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCOCCC(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate?
The InChIKey is AGSYUXYMCREJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-20-15(18)17-9-5-14(6-10-17)16-8-12-19-11-7-13(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 61483914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).