(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate

C10H20N2O4 — CID 67375937

IUPAC(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate
SMILESCCOC(=O)OC1(N)CCN(OCC)CC1
InChIInChI=1S/C10H20N2O4/c1-3-14-9(13)16-10(11)5-7-12(8-6-10)15-4-2/h3-8,11H2,1-2H3
InChIKeyXPNGVLNAHSJYEK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.86
Rot. Bonds4

About (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate

(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate (PubChem CID 67375937) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate
PubChem CID67375937
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate
SMILESCCOC(=O)OC1(N)CCN(OCC)CC1
InChIInChI=1S/C10H20N2O4/c1-3-14-9(13)16-10(11)5-7-12(8-6-10)15-4-2/h3-8,11H2,1-2H3
InChIKeyXPNGVLNAHSJYEK-UHFFFAOYSA-N
XLogP0.86
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
CID 67817437
ethyl (1-methylcyclopropyl) carbonate
CID 89090966
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
CID 175796855
CID 175796855
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
diethyl carbonate;ethane-1,2-diol
CID 19764063

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate?
The IUPAC name of (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate (CID 67375937) is (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate.
What is the SMILES notation for (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate?
The canonical SMILES for (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate is CCOC(=O)OC1(N)CCN(OCC)CC1.
What is the InChIKey of (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate?
The InChIKey is XPNGVLNAHSJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-14-9(13)16-10(11)5-7-12(8-6-10)15-4-2/h3-8,11H2,1-2H3.
What are the key properties of (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate?
(4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate has a molecular weight of 232.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethoxypiperidin-4-yl) ethyl carbonate is sourced from PubChem (CID 67375937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).