ethyl 4-(methylamino)piperidine-1-carboxylate

C9H18N2O2 — CID 11063140

IUPACethyl 4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC)CC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)11-6-4-8(10-2)5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyQKPLFXBOWHKIQH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About ethyl 4-(methylamino)piperidine-1-carboxylate

ethyl 4-(methylamino)piperidine-1-carboxylate (PubChem CID 11063140) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylamino)piperidine-1-carboxylate
PubChem CID11063140
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 4-(methylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC)CC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)11-6-4-8(10-2)5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyQKPLFXBOWHKIQH-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(methylamino)piperidine-1-carboxylate (CID 11063140) is ethyl 4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(methylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC)CC1.
What is the InChIKey of ethyl 4-(methylamino)piperidine-1-carboxylate?
The InChIKey is QKPLFXBOWHKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)11-6-4-8(10-2)5-7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(methylamino)piperidine-1-carboxylate?
ethyl 4-(methylamino)piperidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 11063140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).