5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile

C15H19ClN2O — CID 95341250

IUPAC5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
SMILESN#CCCCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1
InChIKeyKWWZDDYHSUPDHV-HNNXBMFYSA-N
MW278.78 g/mol
LogP3.41
Rot. Bonds5

About 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile

5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile (PubChem CID 95341250) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile.

Molecular Properties

Compound Name5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
PubChem CID95341250
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
SMILESN#CCCCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1
InChIKeyKWWZDDYHSUPDHV-HNNXBMFYSA-N
XLogP3.41
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cloperastine
CID 2805
Cloperastine Hydrochloride
CID 161104
Levocloperastine
CID 688420
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CID 3050316
2-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134144201
3-(4-Propylmorpholin-2-yl)benzonitrile
CID 44443913
2-(2-Chlorophenyl)-4-propylmorpholine
CID 15006483
2-(3-Chlorophenyl)-4-propylmorpholine
CID 15006484
1-[2-[Bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 14698959
Phenethylamine, p-chloro-N,N-dimethyl-beta-methoxy-
CID 3051355
2-(4-Chlorophenyl)-2-methyl-4-(propan-2-yl)morpholine--hydrogen chloride (1/1)
CID 3066040
2-(2-Chlorophenyl)morpholine
CID 3739938

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The IUPAC name of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile (CID 95341250) is 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile.
What is the SMILES notation for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The canonical SMILES for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile is N#CCCCCN1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The InChIKey is KWWZDDYHSUPDHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1.
What are the key properties of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile has a molecular weight of 278.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile is sourced from PubChem (CID 95341250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).