(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride

C29H41Cl3N8O2Si — CID 158560711

IUPAC(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
SMILESC[Si](C)(C)c1cn(C[C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)nn1.Cl.[N-]=[N+]=NC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN4OSi.C12H15ClN4O.ClH/c1-24(2,3)17-11-22(21-20-17)10-16-9-19-15(12-23-16)8-13-4-6-14(18)7-5-13;13-10-3-1-9(2-4-10)5-11-8-18-12(6-15-11)7-16-17-14;/h4-7,11,15-16,19H,8-10,12H2,1-3H3;1-4,11-12,15H,5-8H2;1H/t15-,16+;11-,12+;/m00./s1
InChIKeyKTZLAKWYLDEESJ-JWXCRHMVSA-N
MW668.15 g/mol
LogP5.05
Rot. Bonds9

About (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride

(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride (PubChem CID 158560711) has the molecular formula C29H41Cl3N8O2Si and a molecular weight of 668.15 g/mol. Its IUPAC name is (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
PubChem CID158560711
Molecular FormulaC29H41Cl3N8O2Si
Molecular Weight668.15 g/mol
Exact Mass666.22
IUPAC Name(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
SMILESC[Si](C)(C)c1cn(C[C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)nn1.Cl.[N-]=[N+]=NC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN4OSi.C12H15ClN4O.ClH/c1-24(2,3)17-11-22(21-20-17)10-16-9-19-15(12-23-16)8-13-4-6-14(18)7-5-13;13-10-3-1-9(2-4-10)5-11-8-18-12(6-15-11)7-16-17-14;/h4-7,11,15-16,19H,8-10,12H2,1-3H3;1-4,11-12,15H,5-8H2;1H/t15-,16+;11-,12+;/m00./s1
InChIKeyKTZLAKWYLDEESJ-JWXCRHMVSA-N
XLogP5.05
TPSA121.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.15
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride with MolForge

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Related Compounds

1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
CID 155577047
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
2-(methoxymethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 145267911
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride?
The IUPAC name of (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride (CID 158560711) is (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride.
What is the SMILES notation for (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride?
The canonical SMILES for (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride is C[Si](C)(C)c1cn(C[C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)nn1.Cl.[N-]=[N+]=NC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride?
The InChIKey is KTZLAKWYLDEESJ-JWXCRHMVSA-N. The full InChI is InChI=1S/C17H25ClN4OSi.C12H15ClN4O.ClH/c1-24(2,3)17-11-22(21-20-17)10-16-9-19-15(12-23-16)8-13-4-6-14(18)7-5-13;13-10-3-1-9(2-4-10)5-11-8-18-12(6-15-11)7-16-17-14;/h4-7,11,15-16,19H,8-10,12H2,1-3H3;1-4,11-12,15H,5-8H2;1H/t15-,16+;11-,12+;/m00./s1.
What are the key properties of (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride?
(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride has a molecular weight of 668.15 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride is sourced from PubChem (CID 158560711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).