tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C14H24N2O3 — CID 174751317

IUPACtert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2CNCCO2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-7-4-11(5-8-16)12-10-15-6-9-18-12/h4,12,15H,5-10H2,1-3H3
InChIKeyNQZQHRANHCMVPC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 174751317) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID174751317
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2CNCCO2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-7-4-11(5-8-16)12-10-15-6-9-18-12/h4,12,15H,5-10H2,1-3H3
InChIKeyNQZQHRANHCMVPC-UHFFFAOYSA-N
XLogP1.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 174751317) is tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(C2CNCCO2)CC1.
What is the InChIKey of tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NQZQHRANHCMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(17)16-7-4-11(5-8-16)12-10-15-6-9-18-12/h4,12,15H,5-10H2,1-3H3.
What are the key properties of tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-morpholin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 174751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).