ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate

C14H22N2O2 — CID 150896201

IUPACethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2)C=CC(N)=CC1
InChIInChI=1S/C14H22N2O2/c1-2-18-13(17)14(8-6-12(15)7-9-14)16-10-4-3-5-11-16/h6-8H,2-5,9-11,15H2,1H3
InChIKeyKZASEKXIITUHLD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate

ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 150896201) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate
PubChem CID150896201
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2)C=CC(N)=CC1
InChIInChI=1S/C14H22N2O2/c1-2-18-13(17)14(8-6-12(15)7-9-14)16-10-4-3-5-11-16/h6-8H,2-5,9-11,15H2,1H3
InChIKeyKZASEKXIITUHLD-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate (CID 150896201) is ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate is CCOC(=O)C1(N2CCCCC2)C=CC(N)=CC1.
What is the InChIKey of ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is KZASEKXIITUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-13(17)14(8-6-12(15)7-9-14)16-10-4-3-5-11-16/h6-8H,2-5,9-11,15H2,1H3.
What are the key properties of ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate?
ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 150896201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).