ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate

C10H18N2O2 — CID 123633961

IUPACethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OCC)CC1NC
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h9,11H,2,4-7H2,1,3H3
InChIKeyCTXRIHILPOGFDF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds2

About ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate

ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate (PubChem CID 123633961) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate
PubChem CID123633961
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OCC)CC1NC
InChIInChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h9,11H,2,4-7H2,1,3H3
InChIKeyCTXRIHILPOGFDF-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate?
The IUPAC name of ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate (CID 123633961) is ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate is C=C1CCN(C(=O)OCC)CC1NC.
What is the InChIKey of ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate?
The InChIKey is CTXRIHILPOGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-14-10(13)12-6-5-8(2)9(7-12)11-3/h9,11H,2,4-7H2,1,3H3.
What are the key properties of ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate?
ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-4-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 123633961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).