ethyl 1-ethanimidoylpiperidine-4-carboxylate

C10H18N2O2 — CID 20747472

IUPACethyl 1-ethanimidoylpiperidine-4-carboxylate
SMILES[H]/N=C(\C)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C10H18N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h9,11H,3-7H2,1-2H3/b11-8+
InChIKeySHKWABVYWHDAPD-DHZHZOJOSA-N
MW198.27 g/mol
LogP1.26
Rot. Bonds2

About ethyl 1-ethanimidoylpiperidine-4-carboxylate

ethyl 1-ethanimidoylpiperidine-4-carboxylate (PubChem CID 20747472) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 1-ethanimidoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethanimidoylpiperidine-4-carboxylate
PubChem CID20747472
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 1-ethanimidoylpiperidine-4-carboxylate
SMILES[H]/N=C(\C)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C10H18N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h9,11H,3-7H2,1-2H3/b11-8+
InChIKeySHKWABVYWHDAPD-DHZHZOJOSA-N
XLogP1.26
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethanimidoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethanimidoylpiperidine-4-carboxylate (CID 20747472) is ethyl 1-ethanimidoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethanimidoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethanimidoylpiperidine-4-carboxylate is [H]/N=C(\C)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-ethanimidoylpiperidine-4-carboxylate?
The InChIKey is SHKWABVYWHDAPD-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h9,11H,3-7H2,1-2H3/b11-8+.
What are the key properties of ethyl 1-ethanimidoylpiperidine-4-carboxylate?
ethyl 1-ethanimidoylpiperidine-4-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethanimidoylpiperidine-4-carboxylate is sourced from PubChem (CID 20747472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).