ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate

C12H22N2O2 — CID 83989098

IUPACethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(N)CC(CC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)14-7-10(5-9-3-4-9)6-11(13)8-14/h9-11H,2-8,13H2,1H3
InChIKeyWLHFFEOEPUTNOF-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.59
Rot. Bonds3

About ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate

ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate (PubChem CID 83989098) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
PubChem CID83989098
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(N)CC(CC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)14-7-10(5-9-3-4-9)6-11(13)8-14/h9-11H,2-8,13H2,1H3
InChIKeyWLHFFEOEPUTNOF-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
1-[3-amino-5-(cyclopropylmethyl)piperidin-1-yl]butan-1-one
CID 83989168
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl 3-[[2-(3-methylazetidin-1-yl)sulfonylcyclopropyl]methyl]azetidine-1-carboxylate
CID 154999466
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428
ethyl (3S)-3-(chloromethyl)piperidine-1-carboxylate
CID 124705532
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
ethyl 5-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045601
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
CID 83989090

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate (CID 83989098) is ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate is CCOC(=O)N1CC(N)CC(CC2CC2)C1.
What is the InChIKey of ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The InChIKey is WLHFFEOEPUTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-12(15)14-7-10(5-9-3-4-9)6-11(13)8-14/h9-11H,2-8,13H2,1H3.
What are the key properties of ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate?
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).