methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate

C12H22N2O3 — CID 71926600

IUPACmethyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-12(15)14-6-2-3-11(9-14)13-10-4-7-17-8-5-10/h10-11,13H,2-9H2,1H3
InChIKeyPOQVBEHXLJFRHQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds2

About methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate

methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate (PubChem CID 71926600) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
PubChem CID71926600
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-12(15)14-6-2-3-11(9-14)13-10-4-7-17-8-5-10/h10-11,13H,2-9H2,1H3
InChIKeyPOQVBEHXLJFRHQ-UHFFFAOYSA-N
XLogP0.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate (CID 71926600) is methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate is COC(=O)N1CCCC(NC2CCOCC2)C1.
What is the InChIKey of methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate?
The InChIKey is POQVBEHXLJFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-12(15)14-6-2-3-11(9-14)13-10-4-7-17-8-5-10/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate?
methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71926600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).