2-(azidomethyl)-4-benzylmorpholine

C12H16N4O — CID 19848617

IUPAC2-(azidomethyl)-4-benzylmorpholine
SMILES[N-]=[N+]=NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H16N4O/c13-15-14-8-12-10-16(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCQCIVIABGBSMEI-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.20
Rot. Bonds4

About 2-(azidomethyl)-4-benzylmorpholine

2-(azidomethyl)-4-benzylmorpholine (PubChem CID 19848617) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(azidomethyl)-4-benzylmorpholine.

Molecular Properties

Compound Name2-(azidomethyl)-4-benzylmorpholine
PubChem CID19848617
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(azidomethyl)-4-benzylmorpholine
SMILES[N-]=[N+]=NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H16N4O/c13-15-14-8-12-10-16(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCQCIVIABGBSMEI-UHFFFAOYSA-N
XLogP2.20
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
1-(4-benzylmorpholin-2-yl)pentan-2-ol
CID 141115853
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine
CID 95972215
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-4-benzylmorpholine?
The IUPAC name of 2-(azidomethyl)-4-benzylmorpholine (CID 19848617) is 2-(azidomethyl)-4-benzylmorpholine.
What is the SMILES notation for 2-(azidomethyl)-4-benzylmorpholine?
The canonical SMILES for 2-(azidomethyl)-4-benzylmorpholine is [N-]=[N+]=NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(azidomethyl)-4-benzylmorpholine?
The InChIKey is CQCIVIABGBSMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-15-14-8-12-10-16(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 2-(azidomethyl)-4-benzylmorpholine?
2-(azidomethyl)-4-benzylmorpholine has a molecular weight of 232.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4-benzylmorpholine is sourced from PubChem (CID 19848617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).