ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate

C13H25N3O2 — CID 143410783

IUPACethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2)CCN(N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-12(17)13(6-10-16(14)11-7-13)15-8-4-3-5-9-15/h2-11,14H2,1H3
InChIKeyLZPAGWJSQZFUSM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.74
Rot. Bonds3

About ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate

ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate (PubChem CID 143410783) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
PubChem CID143410783
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2)CCN(N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-12(17)13(6-10-16(14)11-7-13)15-8-4-3-5-9-15/h2-11,14H2,1H3
InChIKeyLZPAGWJSQZFUSM-UHFFFAOYSA-N
XLogP0.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081
ethyl 3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-3-carboxylate
CID 62976410
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089166
ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate
CID 115999232
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate (CID 143410783) is ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate is CCOC(=O)C1(N2CCCCC2)CCN(N)CC1.
What is the InChIKey of ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate?
The InChIKey is LZPAGWJSQZFUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-18-12(17)13(6-10-16(14)11-7-13)15-8-4-3-5-9-15/h2-11,14H2,1H3.
What are the key properties of ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate?
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate is sourced from PubChem (CID 143410783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).