tert-butyl morpholine-4-carboxylate;propan-1-ol

C12H25NO4 — CID 145379856

IUPACtert-butyl morpholine-4-carboxylate;propan-1-ol
SMILESCC(C)(C)OC(=O)N1CCOCC1.CCCO
InChIInChI=1S/C9H17NO3.C3H8O/c1-9(2,3)13-8(11)10-4-6-12-7-5-10;1-2-3-4/h4-7H2,1-3H3;4H,2-3H2,1H3
InChIKeyQXACLNNIBSSDJJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.64
Rot. Bonds1

About tert-butyl morpholine-4-carboxylate;propan-1-ol

tert-butyl morpholine-4-carboxylate;propan-1-ol (PubChem CID 145379856) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl morpholine-4-carboxylate;propan-1-ol.

Molecular Properties

Compound Nametert-butyl morpholine-4-carboxylate;propan-1-ol
PubChem CID145379856
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl morpholine-4-carboxylate;propan-1-ol
SMILESCC(C)(C)OC(=O)N1CCOCC1.CCCO
InChIInChI=1S/C9H17NO3.C3H8O/c1-9(2,3)13-8(11)10-4-6-12-7-5-10;1-2-3-4/h4-7H2,1-3H3;4H,2-3H2,1H3
InChIKeyQXACLNNIBSSDJJ-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyltetradecan-7-yl morpholine-4-carboxylate
CID 139318939
tert-butyl 16-[2-(dodecylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate
CID 164524196
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(propylamino)piperidine-1-carboxylate
CID 58355640
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
CID 170603344
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
CID 171991186

Frequently Asked Questions

What is the IUPAC name of tert-butyl morpholine-4-carboxylate;propan-1-ol?
The IUPAC name of tert-butyl morpholine-4-carboxylate;propan-1-ol (CID 145379856) is tert-butyl morpholine-4-carboxylate;propan-1-ol.
What is the SMILES notation for tert-butyl morpholine-4-carboxylate;propan-1-ol?
The canonical SMILES for tert-butyl morpholine-4-carboxylate;propan-1-ol is CC(C)(C)OC(=O)N1CCOCC1.CCCO.
What is the InChIKey of tert-butyl morpholine-4-carboxylate;propan-1-ol?
The InChIKey is QXACLNNIBSSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C3H8O/c1-9(2,3)13-8(11)10-4-6-12-7-5-10;1-2-3-4/h4-7H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of tert-butyl morpholine-4-carboxylate;propan-1-ol?
tert-butyl morpholine-4-carboxylate;propan-1-ol has a molecular weight of 247.33 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl morpholine-4-carboxylate;propan-1-ol is sourced from PubChem (CID 145379856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).