4-benzyl-2-(tetrazolidin-5-yl)morpholine

C12H19N5O — CID 138059153

IUPAC4-benzyl-2-(tetrazolidin-5-yl)morpholine
SMILESc1ccc(CN2CCOC(C3NNNN3)C2)cc1
InChIInChI=1S/C12H19N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11-16H,6-9H2
InChIKeyBJKUNABYDYKVDJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.67
Rot. Bonds3

About 4-benzyl-2-(tetrazolidin-5-yl)morpholine

4-benzyl-2-(tetrazolidin-5-yl)morpholine (PubChem CID 138059153) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-benzyl-2-(tetrazolidin-5-yl)morpholine.

Molecular Properties

Compound Name4-benzyl-2-(tetrazolidin-5-yl)morpholine
PubChem CID138059153
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-benzyl-2-(tetrazolidin-5-yl)morpholine
SMILESc1ccc(CN2CCOC(C3NNNN3)C2)cc1
InChIInChI=1S/C12H19N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11-16H,6-9H2
InChIKeyBJKUNABYDYKVDJ-UHFFFAOYSA-N
XLogP-0.67
TPSA60.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-2-piperidin-2-ylmorpholine
CID 82380108
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
CID 89203711
CID 89203711
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 124833174
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(tetrazolidin-5-yl)morpholine?
The IUPAC name of 4-benzyl-2-(tetrazolidin-5-yl)morpholine (CID 138059153) is 4-benzyl-2-(tetrazolidin-5-yl)morpholine.
What is the SMILES notation for 4-benzyl-2-(tetrazolidin-5-yl)morpholine?
The canonical SMILES for 4-benzyl-2-(tetrazolidin-5-yl)morpholine is c1ccc(CN2CCOC(C3NNNN3)C2)cc1.
What is the InChIKey of 4-benzyl-2-(tetrazolidin-5-yl)morpholine?
The InChIKey is BJKUNABYDYKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-4-10(5-3-1)8-17-6-7-18-11(9-17)12-13-15-16-14-12/h1-5,11-16H,6-9H2.
What are the key properties of 4-benzyl-2-(tetrazolidin-5-yl)morpholine?
4-benzyl-2-(tetrazolidin-5-yl)morpholine has a molecular weight of 249.32 g/mol, XLogP of -0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(tetrazolidin-5-yl)morpholine is sourced from PubChem (CID 138059153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).