ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate

C14H24N2O3 — CID 62064539

IUPACethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-18-14(17)16-8-6-12(7-9-16)15-11-13-5-3-4-10-19-13/h4,10,12-13,15H,2-3,5-9,11H2,1H3
InChIKeyJERNQEHXHXQXNB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.89
Rot. Bonds4

About ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate

ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate (PubChem CID 62064539) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
PubChem CID62064539
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-18-14(17)16-8-6-12(7-9-16)15-11-13-5-3-4-10-19-13/h4,10,12-13,15H,2-3,5-9,11H2,1H3
InChIKeyJERNQEHXHXQXNB-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate (CID 62064539) is ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is JERNQEHXHXQXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-18-14(17)16-8-6-12(7-9-16)15-11-13-5-3-4-10-19-13/h4,10,12-13,15H,2-3,5-9,11H2,1H3.
What are the key properties of ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate?
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 62064539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).