tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate

C16H25N3O3 — CID 107249690

IUPACtert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNCc1ccccn1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-17-10-13-6-4-5-7-18-13/h4-7,14,17H,8-12H2,1-3H3
InChIKeyPFDVGJJSBGYTJB-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate

tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate (PubChem CID 107249690) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
PubChem CID107249690
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNCc1ccccn1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-17-10-13-6-4-5-7-18-13/h4-7,14,17H,8-12H2,1-3H3
InChIKeyPFDVGJJSBGYTJB-UHFFFAOYSA-N
XLogP1.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249731
tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249570
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249547
tert-butyl 3-[[(5-bromothiophen-3-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249698
tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate
CID 171675241
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate (CID 107249690) is tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CNCc1ccccn1.
What is the InChIKey of tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The InChIKey is PFDVGJJSBGYTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-17-10-13-6-4-5-7-18-13/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate?
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).